supporting information - wiley-vch · 200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40...
TRANSCRIPT
Supporting Information
© Copyright Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, 2008
Stereoselective Synthesis of L-Guluronic Acid Alginates
Jasper Dinkelaar, Jeroen D. C. Codée, Leendert J. van den Bos, Wouter F. J. Hogendorf, Gerrit Lodder, Herman S. Overkleeft, Gijsbert A. van der Marel*
Leiden Institute of Chemistry, Leiden University, P.O. Box 9502,2300 RA Leiden, The Netherlands
Index: NMR spectra of all compounds in successive order.
2
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm
1.289
1.345
1.388
1.448
1.527
3.439
3.444
3.715
3.735
3.754
4.111
4.121
4.133
4.142
4.195
4.211
4.215
4.232
4.338
4.356
4.377
4.394
4.622
4.637
4.688
4.698
4.702
4.713
5.461
5.466
7.285
3
200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 0 ppm
24.684
25.364
25.913
26.664
65.968
75.499
76.691
77.007
77.325
79.830
82.116
85.651
101.302
109.733
112.825
4
3.23.33.43.53.63.73.83.94.04.14.24.34.44.54.64.74.84.95.05.15.25.35.4 ppm
3.598
3.605
3.615
3.622
3.692
3.703
3.716
3.720
3.726
3.734
3.757
3.792
3.799
3.899
3.907
3.968
3.980
3.992
4.041
4.048
4.055
4.853
4.870
1.01
2.31
0.89
1.08
0.94
1.00
5
556065707580859095100105 ppm
60.87
68.94
69.28
71.04
73.67
93.67 6
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm
2.006
2.055
2.062
2.130
2.157
2.165
4.079
4.097
4.108
4.126
4.163
4.177
4.192
4.206
4.356
4.373
4.388
4.391
4.995
4.998
5.005
5.008
5.090
5.099
5.112
5.120
5.425
5.434
5.444
5.985
6.006
7.361
7
200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 0 ppm
20.261
20.352
20.386
20.595
61.286
67.035
67.081
67.299
68.459
71.129
76.684
77.003
77.323
89.694
168.673
168.810
169.038
169.116
170.088
8
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm
2.039
2.061
2.119
2.134
4.150
4.165
4.214
4.229
4.969
4.971
4.979
4.981
5.054
5.363
5.368
5.371
5.376
7.307
7.313
7.323
7.521
7.527
7.536
7.545
9
200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 0 ppm
20.494
20.562
20.593
61.993
66.312
66.838
67.772
72.673
76.682
77.001
77.319
82.965
127.896
128.711
132.328
132.373
168.737
169.019
169.303
170.258
10
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm
3.310
3.313
3.349
3.663
3.676
3.691
3.705
3.721
3.737
3.750
3.756
3.765
3.781
3.789
3.905
3.919
3.934
3.965
3.973
3.982
4.871
5.003
5.029
7.200
7.219
7.237
7.267
7.286
7.304
7.538
7.556
11
200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 0 ppm
48.37
48.58
48.79
49.00
49.22
49.43
49.64
62.71
68.11
71.24
72.63
77.34
87.33
127.83
129.80
131.88
136.31
12
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm
−0.001
1.188
1.205
1.223
1.257
1.552
2.351
3.465
3.483
3.500
3.509
3.573
3.589
3.597
3.614
3.628
3.643
3.652
3.668
3.701
3.709
3.717
3.734
3.741
3.758
3.765
4.116
4.132
4.148
4.245
4.275
4.299
4.329
4.361
4.374
4.388
4.403
4.410
4.440
4.462
4.472
4.490
4.519
4.572
4.602
4.641
4.672
4.685
5.218
5.243
7.075
7.080
7.089
7.098
7.122
7.132
7.160
7.179
7.197
7.202
7.210
7.216
7.222
7.234
7.242
7.270
7.278
7.282
7.295
7.310
7.326
7.331
7.349
7.372
7.393
7.551
7.559
7.563
7.576
7.583
13
200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 ppm68.97
72.44
72.78
73.13
73.23
73.37
74.42
74.79
74.87
76.68
77.00
77.31
84.30
126.78
127.54
127.68
127.76
127.79
127.84
127.89
128.29
128.31
128.63
131.41
137.95
138.21
14
JD 637 1h NMR av400liq
JD 637 1h NMR av400liq
JD 637 1h NMR av400liq
JD 637 1h NMR av400liq
JD 637 1h NMR av400liq
JD 637 1h NMR av400liq
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm
−0.000
1.188
1.206
1.223
1.235
1.253
1.271
1.652
1.798
1.837
1.844
1.861
1.868
2.039
3.391
3.393
3.399
3.402
3.466
3.469
3.481
3.483
3.494
3.498
3.504
3.509
3.522
3.533
3.728
3.736
3.743
3.750
3.767
3.774
3.799
3.806
3.818
3.826
3.835
3.847
3.854
3.938
3.940
3.948
3.951
3.956
3.967
4.106
4.124
4.203
4.233
4.276
4.306
4.384
4.414
4.479
4.509
4.596
4.625
4.677
4.695
4.725
5.214
5.238
7.074
7.080
7.089
7.098
7.232
7.237
7.246
7.249
7.255
7.267
7.283
7.292
7.298
7.307
7.311
7.323
7.333
7.345
7.352
7.363
7.546
7.550
7.566
7.570
15
−10210 200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 0 ppm62.45
72.10
72.71
72.91
73.38
74.88
75.16
75.82
76.69
77.00
77.32
84.03
127.02
127.83
127.88
127.93
128.01
128.39
128.46
128.75
131.56
133.96
137.54
137.83
138.07
16
biosyn1Hfast CDCl3 /opt/topspin nmrafd 1JD 634
biosyn1Hfast CDCl3 /opt/topspin nmrafd 1JD 634
biosyn1Hfast CDCl3 /opt/topspin nmrafd 1JD 634
biosyn1Hfast CDCl3 /opt/topspin nmrafd 1JD 634
biosyn1Hfast CDCl3 /opt/topspin nmrafd 1JD 634
biosyn1Hfast CDCl3 /opt/topspin nmrafd 1JD 634
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm3.722
3.731
3.745
3.813
3.820
3.837
3.845
3.901
3.905
3.910
3.914
4.292
4.322
4.371
4.397
4.401
4.426
4.546
4.576
4.595
4.600
4.630
4.692
4.723
5.215
5.240
7.116
7.123
7.127
7.130
7.140
7.260
7.269
7.274
7.278
7.283
7.291
7.294
7.311
7.318
7.322
7.330
7.335
7.338
7.345
7.348
7.355
7.363
7.371
7.375
7.705
7.709
17
200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 ppm
52.05
72.49
72.70
72.72
73.23
73.91
74.70
76.22
76.68
77.00
77.32
84.42
127.20
127.75
127.79
127.84
128.23
128.26
128.27
128.55
132.42
133.68
137.43
137.65
137.75
169.12
18
biosyn1Hfast CDCl3 /opt/topspin nmrafd 7JD 638
biosyn1Hfast CDCl3 /opt/topspin nmrafd 7JD 638
biosyn1Hfast CDCl3 /opt/topspin nmrafd 7JD 638
biosyn1Hfast CDCl3 /opt/topspin nmrafd 7JD 638
biosyn1Hfast CDCl3 /opt/topspin nmrafd 7JD 638
biosyn1Hfast CDCl3 /opt/topspin nmrafd 7JD 638
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm
0.000
3.251
3.332
3.367
3.376
3.391
3.400
3.529
3.546
3.553
3.570
3.575
3.591
3.599
3.615
3.634
3.642
3.658
3.681
3.687
3.699
3.714
3.726
3.781
3.790
3.805
3.815
3.823
3.832
3.840
3.847
3.936
3.959
3.982
3.999
4.024
4.327
4.393
4.412
4.423
4.430
4.442
4.451
4.460
4.466
4.481
4.496
4.504
4.526
4.532
4.548
4.568
4.577
4.663
4.694
4.725
4.782
4.809
4.818
4.848
4.913
4.940
4.971
4.979
7.150
7.159
7.163
7.167
7.175
7.182
7.199
7.217
7.224
7.229
7.242
7.246
7.251
7.256
7.263
7.266
19
200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 ppm
54.79
54.93
65.52
67.22
68.64
68.82
69.88
70.11
71.13
71.76
72.45
72.69
72.74
72.76
73.02
73.12
73.19
73.25
74.15
74.77
75.51
75.58
76.50
76.68
77.00
77.32
77.78
77.88
79.99
80.23
81.86
81.97
97.67
97.75
97.80
100.74
127.14
127.28
127.33
127.36
127.40
127.48
127.50
127.52
127.58
127.60
127.65
127.69
127.70
127.75
127.79
127.81
127.94
127.97
128.07
128.12
128.17
128.20
128.25
128.26
137.90
138.03
138.11
138.21
138.26
138.33
138.37
138.56
138.84
138.90
139.01
20
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm
−0.000
1.018
1.262
3.326
3.342
3.362
3.373
3.416
3.421
3.437
3.459
3.497
3.506
3.518
3.527
3.537
3.551
3.560
3.578
3.595
3.603
3.669
3.677
3.686
3.721
3.731
3.741
3.764
3.789
3.811
3.849
3.872
3.894
3.939
3.962
3.984
4.079
4.109
4.134
4.164
4.256
4.286
4.314
4.322
4.341
4.362
4.371
4.386
4.389
4.403
4.434
4.458
4.472
4.483
4.494
4.510
4.526
4.540
4.553
4.562
4.581
4.588
4.605
4.614
4.636
4.649
4.670
4.679
4.700
4.740
4.764
4.819
4.849
4.869
4.897
4.940
4.968
4.992
5.108
5.117
5.371
5.392
7.079
7.084
7.093
7.102
7.115
7.130
7.135
7.154
7.173
7.180
7.191
7.195
7.204
7.215
7.222
7.235
7.254
7.268
7.275
7.285
7.303
7.333
7.351
7.383
7.400
21
200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 ppm
54.865
65.265
68.068
68.844
70.083
71.322
72.715
72.784
72.860
73.115
73.295
73.856
74.541
74.863
75.837
76.688
77.006
77.325
80.293
80.464
97.599
97.756
126.813
127.161
127.242
127.276
127.346
127.411
127.483
127.652
127.699
127.879
127.972
128.113
128.192
128.241
128.302
138.083
138.681
139.483
22
biosyn1Hfast CDCl3 /opt/topspin nmrafd 8JD 640
biosyn1Hfast CDCl3 /opt/topspin nmrafd 8JD 640
biosyn1Hfast CDCl3 /opt/topspin nmrafd 8JD 640
biosyn1Hfast CDCl3 /opt/topspin nmrafd 8JD 640
biosyn1Hfast CDCl3 /opt/topspin nmrafd 8JD 640
biosyn1Hfast CDCl3 /opt/topspin nmrafd 8JD 640
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm
0.000
1.259
2.016
2.332
3.281
3.312
3.424
3.440
3.449
3.567
3.600
3.621
3.646
3.659
3.667
3.683
3.692
3.714
3.726
3.731
3.849
3.857
3.866
3.895
4.027
4.053
4.073
4.077
4.097
4.295
4.322
4.344
4.373
4.399
4.427
4.446
4.457
4.477
4.487
4.575
4.588
4.603
4.633
4.707
4.723
4.742
4.770
4.865
4.885
4.897
5.227
5.236
5.553
6.739
6.745
6.757
6.762
6.985
6.991
7.002
7.008
7.117
7.126
7.133
7.142
7.152
7.162
7.173
7.177
7.186
7.190
7.198
7.205
7.217
7.231
7.250
7.259
7.265
7.276
7.293
7.302
7.306
7.375
7.383
7.394
7.398
7.501
7.519
23
200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 ppm
29.60
55.47
55.49
66.64
68.48
68.59
70.88
71.24
72.54
72.77
73.21
73.24
73.30
73.78
74.34
75.05
75.10
76.68
76.75
76.87
77.00
77.32
99.50
100.72
102.72
102.89
114.20
114.25
114.35
118.86
119.07
125.21
125.91
126.06
126.27
127.04
127.07
127.15
127.25
127.33
127.40
127.47
127.52
127.66
127.74
127.80
127.85
127.89
127.93
128.04
128.08
128.15
128.21
128.29
128.32
128.94
137.72
137.88
138.07
138.31
138.87
138.98
151.60
155.00
24
biosyn1Hfast CDCl3 /opt/topspin nmrafd 2JD 643
biosyn1Hfast CDCl3 /opt/topspin nmrafd 2JD 643
biosyn1Hfast CDCl3 /opt/topspin nmrafd 2JD 643
biosyn1Hfast CDCl3 /opt/topspin nmrafd 2JD 643
biosyn1Hfast CDCl3 /opt/topspin nmrafd 2JD 643
biosyn1Hfast CDCl3 /opt/topspin nmrafd 2JD 643
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm
−0.000
1.260
3.268
3.331
3.335
3.345
3.360
3.369
3.596
3.641
3.659
3.667
3.672
3.680
3.729
3.747
3.755
3.766
3.836
3.844
3.852
3.872
3.881
3.889
3.922
3.946
3.970
3.975
3.979
3.984
3.994
4.008
4.336
4.434
4.443
4.471
4.489
4.520
4.528
4.533
4.547
4.555
4.574
4.584
4.620
4.672
4.690
4.703
4.708
4.717
4.778
4.804
4.813
4.830
4.843
4.862
4.904
4.909
4.937
4.951
4.954
4.971
5.073
5.082
7.100
7.165
7.169
7.184
7.188
7.197
7.202
7.214
7.227
7.247
7.256
7.266
7.272
7.280
7.285
7.298
7.300
7.302
7.310
7.315
7.332
7.339
7.344
25
200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 ppm
51.88
54.86
54.93
67.53
67.66
67.76
69.89
69.97
71.33
72.61
72.67
72.71
72.88
72.92
73.22
73.27
73.32
73.47
74.61
74.78
75.01
75.48
75.52
75.74
76.42
76.69
77.00
77.03
77.33
77.75
80.02
80.27
81.83
81.90
97.80
97.83
97.96
100.64
127.28
127.32
127.35
127.39
127.49
127.54
127.60
127.65
127.68
127.71
127.77
127.79
127.84
127.90
127.93
127.98
128.09
128.15
128.22
128.24
128.26
137.50
137.80
138.25
138.32
138.50
138.69
138.88
138.89
169.32
170.13
26
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm
0.068
1.328
3.319
3.415
3.501
3.558
3.569
3.618
3.627
3.641
3.649
3.717
3.746
3.754
3.855
3.863
3.897
3.917
3.936
3.952
3.954
3.964
3.973
4.001
4.320
4.354
4.385
4.405
4.435
4.452
4.487
4.517
4.526
4.553
4.583
4.625
4.634
4.655
4.677
4.707
4.822
4.852
4.963
4.991
5.252
5.262
7.155
7.167
7.174
7.244
7.251
7.259
7.280
7.305
7.320
7.322
7.327
7.335
7.340
7.349
7.384
7.395
27
200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 ppm
51.423
54.900
67.580
68.338
70.202
71.531
72.228
72.638
72.861
73.109
73.239
73.327
74.196
74.980
76.562
76.674
76.993
77.193
77.312
79.750
80.091
97.386
97.828
126.505
126.541
127.352
127.502
127.600
127.625
127.690
127.770
127.841
127.919
128.005
128.097
128.177
128.196
128.326
128.672
137.529
137.650
137.901
137.996
138.394
139.216
169.640
28
biosyn1Hfast CDCl3 /opt/topspin nmrafd 3JD 644
biosyn1Hfast CDCl3 /opt/topspin nmrafd 3JD 644
biosyn1Hfast CDCl3 /opt/topspin nmrafd 3JD 644
biosyn1Hfast CDCl3 /opt/topspin nmrafd 3JD 644
biosyn1Hfast CDCl3 /opt/topspin nmrafd 3JD 644
biosyn1Hfast CDCl3 /opt/topspin nmrafd 3JD 644
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm
1.357
3.354
3.555
3.649
3.811
3.815
3.825
3.837
3.943
3.950
3.967
3.975
4.029
4.131
4.152
4.163
4.174
4.359
4.389
4.448
4.478
4.504
4.534
4.557
4.588
4.640
4.649
4.672
4.681
4.739
4.766
4.956
4.984
4.992
5.012
5.045
5.275
5.332
5.341
5.536
6.852
6.875
7.106
7.116
7.138
7.219
7.234
7.236
7.244
7.250
7.291
7.336
7.353
7.357
7.369
7.422
7.434
7.440
7.587
7.596
7.605
29
200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 ppm
51.37
55.45
66.25
68.31
69.01
71.55
72.50
72.56
73.56
75.11
75.35
76.54
76.68
76.78
77.00
77.32
83.46
100.24
100.44
102.58
114.22
118.95
119.04
125.95
126.17
126.91
126.97
127.07
127.17
127.35
127.64
127.70
127.76
127.83
127.85
127.89
127.93
128.11
128.23
128.31
128.54
137.56
137.70
137.83
138.70
138.86
151.51
155.13
170.00
30
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm
−0.000
3.791
3.798
3.810
3.814
3.822
3.900
3.908
3.916
3.929
3.932
3.960
3.963
4.035
4.042
4.298
4.329
4.341
4.370
4.449
4.477
4.603
4.633
4.762
4.792
5.256
5.280
5.451
7.164
7.182
7.186
7.195
7.210
7.213
7.221
7.226
7.231
7.242
7.245
7.253
7.263
7.272
7.277
7.278
7.286
7.290
7.305
7.348
7.355
7.365
7.371
7.415
7.420
7.429
7.439
7.694
7.700
31
200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 0 ppm
67.42
69.45
72.41
73.53
73.96
74.23
74.88
76.68
77.00
77.32
83.05
100.86
126.32
127.13
127.55
127.60
127.65
127.81
128.10
128.18
128.23
128.27
128.57
129.07
132.62
132.99
137.79
137.88
138.06
32
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm
0.000
1.713
2.361
2.375
2.390
3.445
3.454
3.789
3.796
3.814
3.821
3.858
3.887
3.897
3.905
3.916
3.927
3.938
3.949
3.959
3.967
3.976
4.532
4.561
4.581
4.610
4.620
4.649
4.753
4.783
5.270
5.295
7.240
7.252
7.257
7.267
7.281
7.288
7.298
7.308
7.314
7.323
7.342
7.358
7.378
7.517
7.519
7.532
7.536
7.540
33
200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 0 ppm
64.043
70.807
72.721
73.537
74.243
74.948
75.460
76.680
76.998
77.316
84.747
127.232
127.760
127.984
128.349
128.832
131.517
133.779
137.855
138.207
34
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm2.770
3.729
3.736
3.754
3.935
3.944
3.952
4.157
4.498
4.527
4.584
4.610
4.641
4.734
4.764
5.192
5.217
5.238
7.256
7.282
7.293
7.306
7.326
7.336
7.341
7.599
7.615
7.618
35
−10210 200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 0 ppm
52.369
69.364
72.711
73.431
74.341
74.945
75.052
76.683
77.001
77.320
85.065
127.470
127.722
127.884
128.286
128.695
132.342
133.303
137.668
137.871
169.436
36
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm
2.146
2.161
2.172
2.177
2.187
2.342
2.439
2.441
2.457
2.472
2.647
2.662
2.679
2.697
3.581
3.588
3.606
3.613
3.743
3.755
3.772
3.799
3.805
3.917
3.926
3.934
4.467
4.496
4.560
4.589
4.655
4.659
4.680
4.709
4.731
4.761
5.192
5.218
5.286
5.290
5.295
5.299
7.243
7.252
7.255
7.268
7.273
7.285
7.292
7.306
7.320
7.326
7.330
7.340
7.346
7.639
7.643
7.658
7.663
37
200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 0 ppm
27.855
29.646
37.703
52.330
69.389
70.183
72.418
72.507
73.241
73.359
73.689
76.673
76.992
77.311
84.553
127.489
127.751
127.819
127.970
128.124
128.245
128.292
128.361
128.428
128.614
129.685
129.745
129.810
132.621
133.271
133.305
133.411
137.485
167.862
171.281
205.971 38
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm
−0.031
−0.000
0.797
3.676
3.680
3.692
3.697
3.709
3.757
3.763
3.768
3.777
3.796
3.801
3.853
3.859
3.871
3.877
3.897
4.348
4.367
4.433
4.452
4.460
4.480
4.625
4.645
5.072
5.088
5.153
7.111
7.121
7.129
7.142
7.149
7.164
7.171
7.195
7.208
7.220
7.231
7.470
7.482
39
210 200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 0 ppm
−5.670
−5.510
18.119
25.749
65.067
70.678
72.580
73.418
73.844
74.635
75.477
76.788
77.000
77.212
84.539
127.099
127.629
127.649
127.710
127.901
128.286
128.300
128.600
132.071
133.693
138.058
138.346
40
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm
−0.012
−0.008
0.834
2.132
2.467
2.483
2.639
2.654
3.549
3.556
3.574
3.581
3.598
3.663
3.678
3.687
3.703
3.889
3.897
3.906
4.080
4.097
4.114
4.471
4.500
4.542
4.571
4.629
4.659
4.682
4.711
5.056
5.065
5.218
5.243
7.195
7.199
7.213
7.232
7.249
7.270
7.282
7.310
7.514
7.531
7.535
41
−10210 200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 0 ppm
−5.740
−5.530
18.018
25.683
27.926
29.693
37.748
60.978
68.673
72.192
72.673
73.104
74.424
74.448
76.677
76.996
77.314
84.379
126.854
127.615
127.636
127.899
128.090
128.179
128.191
128.573
131.222
134.215
137.690
137.829
171.560
205.868
42
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm
0.995
1.042
3.739
3.865
3.870
3.885
4.103
4.106
4.124
4.127
4.151
4.171
4.176
4.580
4.600
4.652
4.671
4.739
4.758
4.830
4.849
5.262
5.278
7.182
7.193
7.205
7.226
7.239
7.250
7.260
7.274
7.287
7.299
7.309
7.328
7.341
7.353
7.402
7.415
7.530
7.542
7.544
43
210 200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 0 ppm
20.420
23.209
27.495
67.151
71.956
72.090
72.715
73.673
75.166
76.252
76.787
76.999
77.211
84.906
126.900
127.676
127.746
128.192
128.288
128.317
128.536
131.820
134.701
137.772
138.357
44
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm
1.806
1.817
1.820
1.831
1.834
1.845
1.847
1.857
1.871
1.877
1.890
1.901
1.905
1.916
1.929
1.933
1.944
2.555
3.344
3.349
3.358
3.362
3.372
3.375
3.470
3.480
3.489
3.492
3.500
3.512
3.762
3.822
3.829
3.836
3.843
3.849
3.853
3.858
3.868
3.891
3.898
3.905
4.193
4.562
4.587
4.622
4.638
4.647
4.662
4.781
4.784
4.850
4.874
4.945
4.953
7.250
7.257
7.260
7.271
7.281
7.285
7.289
7.297
7.308
7.324
7.335
7.360
7.374
45
−10210 200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 0 ppm
28.808
48.104
52.355
65.327
67.638
69.663
71.679
72.752
72.952
75.288
76.744
76.999
77.254
97.936
127.481
127.531
127.628
127.795
128.166
128.359
137.837
138.477
170.445
46
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm
0.086
0.893
1.778
1.800
1.812
1.826
1.839
1.851
1.911
1.925
1.938
1.950
1.965
3.356
3.369
3.382
3.440
3.451
3.461
3.471
3.482
3.784
3.793
3.803
3.814
3.817
3.828
3.860
3.866
3.910
3.916
4.033
4.041
4.050
4.570
4.594
4.605
4.630
4.654
4.863
4.888
7.235
7.249
7.266
7.289
7.304
7.321
7.343
7.358
7.373
47
−10210 200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 0 ppm
−5.743
−5.598
18.120
25.718
28.916
48.272
64.460
65.081
65.457
70.942
71.384
72.941
73.504
75.471
76.733
76.987
77.242
97.872
127.288
127.553
128.063
128.258
138.301
138.955
48
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm
0.000
0.044
0.076
0.879
1.258
1.559
1.586
1.743
1.999
2.112
2.141
2.162
2.298
2.317
2.466
2.480
2.492
2.534
2.634
2.648
2.667
2.683
2.697
2.715
2.731
2.761
2.776
3.270
3.328
3.355
3.379
3.450
3.474
3.508
3.528
3.601
3.640
3.665
3.688
3.720
3.757
3.772
3.834
3.863
3.886
3.919
3.943
3.964
3.991
4.014
4.199
4.221
4.420
4.461
4.492
4.516
4.543
4.565
4.594
4.636
4.695
4.717
4.735
4.766
4.790
4.819
4.854
4.917
4.945
4.961
4.991
5.012
5.051
5.250
5.273
5.317
5.336
5.365
7.139
7.159
7.177
7.203
7.235
7.250
7.270
7.285
7.315
7.346
7.381
7.399
49
200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 ppm
27.93
29.65
37.72
37.79
52.19
52.22
52.29
54.96
55.02
66.12
66.61
67.72
69.90
70.48
70.88
70.99
71.06
71.11
71.43
72.04
72.49
72.57
72.76
73.11
73.19
73.32
73.55
74.63
74.86
75.11
75.55
75.63
75.66
76.68
77.00
77.32
77.73
77.85
80.09
80.30
81.85
81.95
96.38
97.91
97.94
98.03
100.67
127.15
127.20
127.35
127.40
127.44
127.67
127.70
127.74
127.78
127.86
127.97
128.22
128.27
128.32
128.34
137.67
137.84
138.14
138.31
138.43
138.58
138.88
138.96
168.08
169.10
169.23
171.42
171.47
206.04
50
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm
−0.008
0.034
0.875
0.913
0.934
1.101
1.251
1.405
1.655
1.977
2.030
2.092
2.138
2.295
2.372
2.401
2.415
2.432
2.446
2.475
2.583
2.616
2.629
2.648
2.668
2.683
2.714
3.168
3.199
3.246
3.285
3.346
3.430
3.499
3.564
3.578
3.626
3.653
3.724
3.758
3.875
3.900
4.212
4.381
4.411
4.454
4.486
4.518
4.559
4.610
4.652
4.685
4.830
4.859
4.885
4.914
5.002
5.041
5.153
5.181
5.271
7.174
7.191
7.218
7.248
7.266
7.289
7.310
7.330
7.348
7.424
7.442
51
200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 ppm
27.91
29.64
29.67
37.76
51.80
55.00
65.97
68.22
70.18
70.70
71.19
71.83
72.48
73.04
73.34
74.24
74.89
76.68
77.00
77.32
79.66
80.27
97.35
97.89
126.54
126.61
127.45
127.61
127.67
127.83
127.92
127.94
128.13
128.19
128.24
128.25
128.31
128.37
137.51
137.92
138.06
138.23
139.16
168.71
171.46
206.08
52
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm
1.787
1.804
1.820
1.836
1.850
1.888
1.902
1.908
1.922
1.937
1.957
2.158
2.420
2.447
2.458
2.463
2.471
2.476
2.478
2.489
2.611
2.625
2.641
2.657
2.671
2.689
2.707
2.723
2.736
2.754
3.333
3.338
3.354
3.368
3.370
3.474
3.488
3.499
3.513
3.527
3.690
3.699
3.708
3.738
3.749
3.761
3.803
3.816
3.823
3.828
3.835
3.840
3.847
3.860
3.910
3.919
3.927
4.505
4.536
4.602
4.633
4.703
4.733
4.818
4.848
4.854
4.858
4.945
4.955
5.317
5.321
5.326
5.330
7.265
7.273
7.290
7.295
7.313
7.324
7.328
7.341
7.345
7.349
7.391
7.408
53
−10210 200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 0 ppm
27.827
28.748
29.546
37.694
48.050
52.303
65.308
65.861
70.624
71.353
72.330
72.388
72.940
76.680
76.998
77.317
97.723
127.467
127.621
127.789
128.094
128.292
137.681
138.191
168.924
171.313
205.921
54
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm
1.819
1.831
1.841
1.851
1.898
1.911
1.920
1.931
2.168
2.171
2.450
2.453
2.461
2.471
2.474
2.648
2.669
2.679
2.689
2.698
2.709
2.720
2.740
3.325
3.337
3.348
3.358
3.524
3.533
3.540
3.556
3.649
3.654
3.660
3.699
3.704
3.716
3.862
3.874
3.877
3.882
3.890
3.894
4.172
4.192
4.267
4.270
4.285
4.305
4.457
4.477
4.549
4.569
4.590
4.596
4.609
4.783
4.795
4.799
4.814
4.968
4.974
5.168
5.174
5.265
5.268
5.272
7.085
7.094
7.098
7.213
7.215
7.225
7.243
7.254
7.262
7.266
7.277
7.290
7.298
7.306
7.315
7.319
7.332
7.335
7.345
7.348
7.405
7.418
55
200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 0 ppm
14.158
22.721
27.909
28.986
29.390
29.725
29.765
30.057
30.973
31.950
37.112
37.814
48.272
52.145
52.471
65.347
66.885
67.177
70.995
71.424
71.628
71.750
72.878
73.090
73.162
73.519
75.163
76.843
77.054
77.266
77.744
97.678
99.785
127.448
127.535
127.606
127.676
127.695
127.734
127.901
127.980
128.149
128.229
128.247
128.283
128.383
137.731
137.970
138.585
138.654
168.595
169.970
171.413
206.155
56
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm
−0.012
−0.000
0.830
0.837
1.767
1.777
1.788
1.806
1.818
1.828
1.838
1.855
1.865
1.904
1.915
2.091
2.131
2.136
2.147
2.475
2.480
2.492
2.628
2.639
2.649
2.660
2.676
2.688
3.319
3.330
3.346
3.358
3.368
3.381
3.392
3.403
3.442
3.450
3.458
3.499
3.511
3.516
3.527
3.572
3.579
3.590
3.596
3.610
3.616
3.622
3.676
3.686
3.696
3.783
3.791
3.844
3.849
3.868
4.226
4.237
4.249
4.502
4.523
4.578
4.586
4.607
4.648
4.668
4.714
4.719
4.734
4.761
4.784
4.791
4.803
4.816
5.056
5.060
5.244
7.228
7.240
7.252
7.271
7.285
7.300
7.314
7.331
7.338
7.352
7.365
7.377
7.386
7.398
7.410
7.423
7.433
7.591
7.608
7.621
57
200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 0 ppm
−5.586
−5.468
18.173
25.793
26.708
26.749
27.973
28.024
28.988
29.288
29.834
31.513
37.903
48.462
59.762
60.957
61.434
61.985
64.794
65.737
65.996
66.467
68.722
68.780
69.205
69.284
71.213
72.201
72.557
72.658
72.900
73.031
73.282
74.542
74.681
76.165
76.907
77.119
77.332
97.402
100.916
124.803
127.491
127.526
127.721
127.771
127.806
127.953
128.011
128.064
128.182
128.278
128.328
128.396
128.728
129.363
129.732
129.761
131.101
131.313
133.166
135.577
135.600
138.074
138.105
138.549
138.620
145.573
171.785
171.856
206.108
206.147
58
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm
−0.028
−0.012
0.001
0.006
0.834
0.867
1.691
2.177
2.497
2.501
2.514
2.518
2.531
2.671
2.686
2.700
2.717
3.304
3.321
3.329
3.339
3.346
3.363
3.431
3.440
3.455
3.464
3.478
3.485
3.505
3.509
3.530
3.635
3.644
3.652
3.700
3.715
3.725
3.740
3.751
3.760
3.768
3.780
3.880
3.889
3.904
3.916
3.937
3.941
3.962
3.968
3.977
3.985
4.131
4.191
4.215
4.245
4.283
4.314
4.518
4.548
4.577
4.606
4.640
4.645
4.670
4.676
4.736
4.745
4.793
4.822
4.840
4.871
5.066
5.075
5.090
7.174
7.185
7.198
7.209
7.226
7.234
7.238
7.247
7.253
7.258
7.264
7.267
7.274
7.287
7.292
7.301
7.305
7.323
7.357
7.367
7.373
7.378
7.383
59
200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 0 ppm
−5.483
−5.386
−5.329
18.146
18.285
25.883
28.058
29.143
29.830
37.910
48.552
61.033
61.085
64.758
66.181
66.970
69.765
71.073
71.192
72.002
72.537
72.819
74.290
74.316
74.720
75.822
76.729
77.047
77.365
97.459
99.633
127.234
127.285
127.313
127.406
127.448
127.503
127.558
127.621
127.713
128.068
128.155
128.351
138.147
138.322
139.045
139.191
171.748
206.043
60
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm
1.820
1.837
1.853
1.870
1.886
1.908
1.916
1.923
1.929
1.943
1.959
2.030
3.360
3.377
3.393
3.404
3.421
3.452
3.466
3.478
3.490
3.504
3.706
3.714
3.727
3.734
3.768
3.824
3.836
3.844
3.848
3.856
3.868
3.880
3.908
3.917
3.926
3.938
3.947
3.956
3.965
3.972
3.996
4.023
4.036
4.051
4.101
4.107
4.216
4.247
4.267
4.298
4.571
4.601
4.629
4.659
4.688
4.834
4.845
4.864
4.875
4.911
4.928
4.941
4.949
4.974
4.984
5.254
5.478
5.502
7.229
7.268
7.277
7.286
7.292
7.305
7.324
7.338
7.378
7.396
7.429
7.434
7.445
7.453
7.627
7.631
7.646
7.651
61
200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 0 ppm
28.979
29.258
48.265
48.427
59.784
64.726
65.500
66.162
69.400
69.651
71.640
73.149
73.445
73.701
73.876
74.163
75.250
75.618
76.373
76.639
76.680
76.998
77.317
97.775
100.688
100.943
100.998
124.700
126.114
126.251
127.379
127.446
127.536
127.675
128.104
128.160
128.201
128.301
128.958
129.005
129.242
130.961
137.668
138.092
138.788
62
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm
−0.040
0.009
0.864
1.672
1.886
1.903
1.981
1.996
3.114
3.353
3.366
3.383
3.401
3.407
3.424
3.441
3.454
3.552
3.564
3.577
3.617
3.625
3.633
3.684
3.693
3.703
3.715
3.730
3.740
3.755
3.829
3.841
3.849
3.853
3.861
3.865
3.871
3.878
3.887
3.900
3.910
3.925
3.943
3.947
3.957
3.964
3.989
4.112
4.130
4.148
4.439
4.471
4.519
4.549
4.578
4.606
4.672
4.703
4.720
4.726
4.756
4.899
4.909
4.990
5.017
5.187
5.196
5.450
6.944
6.947
6.964
7.208
7.227
7.233
7.237
7.243
7.250
7.258
7.264
7.269
7.276
7.282
7.304
7.315
7.320
7.337
7.341
7.347
7.353
7.361
7.365
7.371
7.391
7.428
7.433
7.442
7.453
7.463
7.480
63
200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 0 ppm
−5.404
−5.344
18.158
25.864
29.156
48.596
60.119
61.068
64.833
66.868
69.497
71.510
72.207
73.342
73.460
73.841
75.061
75.277
75.486
76.126
76.751
77.069
77.387
96.976
99.868
100.926
126.177
127.261
127.386
127.540
127.620
128.079
128.189
128.201
128.328
128.364
129.056
137.695
138.184
138.512
138.775
139.451
64
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm
−0.000
0.909
0.983
1.790
1.805
1.822
1.839
1.852
1.870
1.890
1.905
1.919
1.925
1.939
1.954
1.960
1.974
2.039
3.348
3.365
3.382
3.442
3.455
3.467
3.480
3.494
3.780
3.792
3.800
3.804
3.812
3.816
3.824
3.837
3.844
3.851
3.863
3.873
3.881
3.930
4.073
4.077
4.104
4.108
4.152
4.157
4.184
4.191
4.582
4.588
4.612
4.617
4.655
4.686
4.802
4.811
4.949
4.978
7.262
7.284
7.301
7.316
7.320
7.334
7.350
7.368
7.386
65
−10210 200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 0 ppm
20.367
23.246
27.161
27.561
29.034
48.349
64.052
64.623
67.215
71.325
72.425
72.580
73.323
76.092
76.676
76.994
77.196
77.312
97.805
127.464
127.613
127.827
127.982
128.205
128.418
137.963
139.097
66
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm
−0.022
0.014
0.864
0.906
1.031
1.645
1.821
1.836
1.853
1.856
1.870
1.884
1.902
1.921
1.939
1.954
1.970
1.988
3.315
3.328
3.345
3.363
3.381
3.397
3.411
3.486
3.499
3.511
3.524
3.538
3.593
3.601
3.609
3.664
3.673
3.682
3.688
3.692
3.720
3.723
3.755
3.780
3.797
3.809
3.821
3.825
3.833
3.841
3.860
3.887
3.895
3.915
3.940
3.947
4.084
4.095
4.115
4.133
4.358
4.389
4.548
4.557
4.579
4.586
4.674
4.705
4.752
4.782
4.869
4.878
4.977
4.986
5.008
5.035
6.955
6.961
6.969
6.978
7.169
7.177
7.185
7.252
7.258
7.270
7.275
7.283
7.290
7.295
7.306
7.309
7.325
7.348
7.365
7.461
7.479
67
200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 0 ppm
−5.375
−5.309
18.154
20.422
23.311
25.854
27.211
27.638
29.145
48.586
61.395
64.476
64.715
66.867
67.109
71.152
71.514
72.911
73.101
73.216
73.835
73.902
75.460
75.632
76.135
76.727
77.045
77.362
97.001
99.671
127.339
127.452
127.516
127.598
127.641
127.952
128.143
128.168
128.247
128.442
138.074
138.501
138.966
139.643
68
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm
0.912
0.989
3.479
3.492
3.638
3.645
3.658
3.665
3.799
3.879
3.886
3.980
4.125
4.134
4.153
4.175
4.217
4.227
4.569
4.587
4.599
4.622
4.651
4.666
4.679
4.696
4.709
4.792
4.822
4.840
4.869
5.166
5.191
5.216
5.223
7.211
7.254
7.280
7.298
7.319
7.332
7.353
7.372
69
200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 0 ppm
20.316
20.402
23.154
27.082
27.306
27.438
62.985
67.010
67.074
70.164
70.514
70.574
71.571
71.950
72.710
73.594
74.581
76.680
76.848
76.999
77.318
77.566
78.208
92.882
94.754
127.484
127.566
127.594
127.799
127.817
127.859
128.098
128.231
128.381
128.467
137.208
137.499
138.341
138.447
70
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm
1.838
1.855
1.870
1.884
1.914
1.927
1.933
1.946
1.962
1.968
3.361
3.371
3.378
3.388
3.396
3.404
3.418
3.427
3.491
3.505
3.517
3.518
3.530
3.544
3.560
3.567
3.590
3.597
3.701
3.765
3.770
3.829
3.841
3.847
3.853
3.866
3.884
4.121
4.130
4.319
4.349
4.355
4.386
4.422
4.452
4.541
4.559
4.572
4.579
4.588
4.609
4.638
4.668
4.794
4.801
4.829
4.859
4.975
4.984
5.276
7.165
7.169
7.177
7.182
7.188
7.229
7.240
7.249
7.258
7.266
7.271
7.282
7.284
7.290
7.293
7.297
7.298
7.304
7.311
7.324
7.329
7.331
7.340
7.343
7.359
71
200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 0 ppm
29.105
48.464
62.656
64.379
64.858
65.893
65.984
70.893
71.356
71.486
72.796
72.838
72.987
73.437
73.700
74.647
76.779
77.097
77.415
80.502
97.159
99.932
127.582
127.610
127.675
127.744
127.822
128.022
128.265
128.340
128.363
128.517
128.545
137.531
138.337
138.365
138.830
72
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm
−0.012
0.026
0.107
0.115
0.891
0.929
1.895
1.962
1.977
3.341
3.354
3.371
3.388
3.404
3.421
3.526
3.538
3.550
3.564
3.573
3.597
3.627
3.638
3.659
3.691
3.699
3.707
3.741
3.751
3.759
3.768
3.778
3.793
3.834
3.846
3.854
3.858
3.866
3.870
3.879
3.888
3.895
3.923
3.930
3.950
3.960
3.968
3.973
3.994
4.013
4.044
4.091
4.137
4.155
4.172
4.402
4.433
4.580
4.593
4.610
4.621
4.643
4.673
4.719
4.749
4.786
4.817
4.891
4.901
4.989
5.016
5.145
5.154
7.037
7.046
7.055
7.061
7.212
7.222
7.228
7.258
7.270
7.277
7.283
7.288
7.294
7.298
7.306
7.320
7.325
7.338
7.343
7.355
7.368
7.372
7.388
7.406
7.467
7.485
73
200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 0 ppm
−5.607
−5.474
−5.437
18.043
18.206
25.770
29.089
48.482
61.132
64.644
65.256
65.610
66.989
71.356
71.528
72.107
72.508
73.073
74.048
74.910
75.074
75.245
76.073
76.691
77.009
77.327
96.998
99.937
127.001
127.203
127.269
127.340
127.466
127.524
127.594
127.814
128.057
128.263
138.385
138.475
139.006
139.593
74
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm
−0.021
−0.013
0.008
0.057
0.871
0.925
0.962
1.073
1.083
1.917
3.333
3.340
3.350
3.357
3.451
3.704
3.714
3.721
3.729
3.736
3.746
3.763
3.769
3.781
3.791
3.799
3.823
3.858
3.890
3.914
3.920
3.929
3.942
3.949
3.962
3.975
4.028
4.086
4.094
4.146
4.162
4.172
4.180
4.202
4.259
4.289
4.432
4.463
4.589
4.615
4.626
4.642
4.657
4.695
4.705
4.715
4.745
4.778
4.808
4.941
4.970
5.014
5.045
5.068
5.095
5.109
5.116
5.157
5.163
6.995
6.999
7.009
7.018
7.211
7.216
7.224
7.227
7.236
7.254
7.268
7.288
7.298
7.303
7.322
7.330
7.339
7.344
7.350
7.354
7.370
7.375
7.392
7.394
7.416
7.435
7.446
7.464
7.517
7.535
75
200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 0 ppm
−5.391
−5.361
−5.281
−5.199
18.114
18.178
20.325
23.258
25.842
25.883
27.142
27.624
29.123
48.494
60.973
61.279
64.447
64.611
66.780
67.095
67.549
71.011
71.045
71.140
72.458
72.869
73.039
73.316
73.639
74.886
75.081
75.421
75.722
75.814
76.181
76.681
76.999
77.318
97.213
99.286
99.647
127.006
127.105
127.127
127.163
127.215
127.404
127.492
127.516
127.605
127.964
128.010
128.068
128.123
128.386
138.055
138.426
138.631
139.481
139.568
139.693
76
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm
0.000
1.237
1.255
1.273
1.925
1.939
1.954
2.039
3.351
3.358
3.369
3.374
3.386
3.391
3.485
3.494
3.508
3.523
3.544
3.639
3.655
3.664
3.672
3.726
3.753
3.762
3.771
3.778
3.786
3.815
3.824
3.833
3.841
3.849
3.860
3.866
3.979
4.042
4.049
4.057
4.107
4.125
4.138
4.143
4.210
4.240
4.305
4.335
4.362
4.417
4.447
4.474
4.505
4.530
4.561
4.574
4.603
4.630
4.648
4.661
4.679
4.700
4.709
4.894
4.923
4.944
4.954
4.965
4.974
7.094
7.099
7.109
7.118
7.211
7.220
7.231
7.236
7.244
7.248
7.254
7.272
7.276
7.286
7.290
7.305
7.311
7.315
7.326
7.329
7.333
7.339
7.353
7.358
7.367
7.372
7.374
7.385
7.400
7.405
77
200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 0 ppm
29.053
48.383
62.490
62.829
64.238
64.711
65.657
65.981
66.452
70.722
71.184
71.287
71.545
72.124
72.605
72.671
72.722
73.090
73.148
73.262
74.034
74.825
76.680
76.998
77.316
79.695
80.872
97.332
99.184
99.912
127.415
127.525
127.566
127.772
128.029
128.179
128.268
128.377
128.445
128.502
137.424
137.574
138.186
138.265
138.989
78
2.02.53.03.54.04.55.0 ppm
1.919
1.977
1.991
2.004
2.018
2.029
2.040
2.047
2.059
3.140
3.154
3.166
3.173
3.184
3.195
3.198
3.211
3.228
3.648
3.660
3.673
3.686
3.698
3.711
3.922
3.932
3.942
3.951
3.960
3.969
3.975
3.985
3.994
4.087
4.096
4.105
4.118
4.124
4.144
4.148
4.153
4.157
4.412
4.416
4.471
4.513
4.789
4.955
4.965
4.985
5.016
5.026
79
200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 0 ppm
25.962
38.989
64.538
64.710
65.060
66.661
67.811
68.094
69.102
70.301
70.844
80.543
80.670
98.347
98.718
100.886
175.655
176.112
80
2.02.53.03.54.04.55.0 ppm
1.967
1.981
1.995
2.007
2.017
2.036
3.138
3.151
3.159
3.165
3.170
3.177
3.193
3.210
3.648
3.660
3.672
3.685
3.697
3.709
3.909
3.919
3.929
3.943
3.952
3.970
3.978
3.987
3.997
4.044
4.054
4.064
4.074
4.138
4.411
4.463
4.473
4.503
4.757
4.954
4.963
5.013
5.022
5.054
5.064
81
200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 0 ppm
26.182
39.002
64.555
65.208
66.637
67.248
67.835
68.176
69.132
69.210
70.424
70.804
80.000
80.450
98.403
100.718
100.831
175.499
175.591
176.061
82