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This molecule with other stereoconfigurations:


NMReDATA_MRC/Methanol-D4 (CD3OD)  
Spectral Data   Additional Data   Download  
Type: 13C 124.75
Atom
Mult.(coupling const.)
Meas.
Shift
1 T 31.71
2 T 28.09
3 D 65.73
4 T 35.13
5 D 31.24
6 T 36.25
7 D 67.35
8 D 39.81
9 D 39.02
10 S 35.50
11 T 27.87
12 D 72.61
13 S 46.04
14 D 41.73
15 T 22.72
16 T 27.31
17 D 47.08
18 Q 11.45
19 Q 8.89
20 D 35.76
21 Q 16.74
22 T 35.98
23 T 23.25
24 T 27.84
25 D 40.91
26 T 67.56
27 T 61.73

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Spectral Data   Additional Data   Download  
Type: 1H 499.9200134277344
Atom
Mult.(coupling const.)
Meas.
Shift
1-H 1.42
2-H 1.64
3-H dddd 3.99
4-H (13.0); (3.2) 1.51, 1.32
5-H tt (13.0,3.2,13.0,3.2) 2.15 (H 37)
6-H (13.0,3.2); (3.2,2.5) 1.35, 1.42
7-H dd (3.2,3.2,2.5) 3.79
8-H (3.2,12.0) 1.48
9-H 1.68
11-H (2.6); (3.0) 1.57, 1.68
12-H dd (2.6,3.0) 3.95
14-H td (5.5,12.0,12.0) 1.94
15-H (5.5); (12.0) 1.77, 1.12
16-H 1.89, 1.28
17-H t 1.85
18-H s;s;s 0.72
19-H s;s;s 0.82
20-H (6.6) 1.40
21-H d (6.6);d;d 1.02
22-H 1.46, 1.11
23-H 1.48, 1.31
24-H 1.35
25-H (6.1,4.9,6.1,5.3) 1.80
26-H ddd (9.8,6.1);ddd (9.8,4.9) 4.05, 4.00
27-H ddd (11.1,6.1);ddd (11.1,5.3) 3.60, 3.56
28-H
29-H
30-H
31-H
32-H

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Spectral Data   Additional Data   Download  
Type: H,H-COSY 499.9200134277344
Axis: 1 (H)
Axis: 2 (H)
Atom
Shift
Atom
Shift
17 0.726 18 1.846
20 1.024 21 1.397
22 1.104 22 1.456
15 1.12 15 1.773
16 1.285 16 1.897
17 1.285 16 1.846
15 1.285 16 1.773
3 1.321 4 3.983
5 1.321 4 2.159
4 1.321 4 1.504
7 1.346 6 3.793
5 1.346 6 2.159
6 1.346 6 1.417
17 1.397 20 1.846
22 1.397 20 1.456
7 1.417 6 3.793
5 1.417 6 2.159
9 1.423 1 1.679
1 1.423 2 1.635
7 1.477 8 3.793
3 1.504 4 3.983
5 1.504 4 2.159
12 1.562 11 3.953
11 1.562 11 1.678
3 1.635 2 3.983
12 1.678 11 3.953
14 1.773 15 1.944
26 1.796 25 4.007
27 1.796 25 3.559
26 4.007 26 4.045

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Spectral Data   Additional Data   Download  
Type: H,C-HMBC 499.9200134277344
Axis: 1 (H)
Axis: 2 (C)
Atom
Shift
Atom
Shift
18 0.726 14 41.73
18 0.726 7 46.04
18 0.726 17 47.08
18 0.726 12 72.61
19 0.82 5 31.24
19 0.82 1 31.712
19 0.82 15 35.5
19 0.82 9 39.02
21 1.024 22 35.98
21 1.024 20 35.757
21 1.024 17 47.08
22 1.104 21 16.74
22 1.104 24 27.84
15 1.12 8 39.81
15 1.12 14 41.73
4 1.321 5 31.24
4 1.321 1 31.712
6 1.346 7 67.347
24 1.348 27 61.73
20 1.397 23 23.25
20 1.397 17 47.08
6 1.417 5 31.24
6 1.417 15 35.5
1 1.423 19 8.89
1 1.423 5 31.24
1 1.423 15 35.5
1 1.423 3 65.73
22 1.456 21 16.74
22 1.456 23 23.25
22 1.456 20 35.757
8 1.477 11 27.87
8 1.477 14 41.73
4 1.504 5 31.24
11 1.562 9 39.02
11 1.678 15 35.5
11 1.678 8 39.81
11 1.678 7 46.04
11 1.678 12 72.61
11 1.678 9 39.02
9 1.679 19 8.89
Axis: 1 (H)
Axis: 2 (C)
Atom
Shift
Atom
Shift
9 1.679 1 31.712
9 1.679 5 31.24
25 1.796 23 23.25
25 1.796 24 27.84
25 1.796 27 61.73
25 1.796 26 67.56
17 1.846 18 11.45
17 1.846 16 27.31
17 1.846 20 35.757
17 1.846 7 46.04
16 1.897 15 22.72
14 1.944 18 11.45
14 1.944 15 22.72
14 1.944 9 39.02
14 1.944 8 39.81
14 1.944 7 46.04
14 1.944 17 47.08
14 1.944 12 72.61
5 2.159 9 39.02
27 3.559 24 27.84
27 3.559 25 40.91
27 3.559 26 67.56
27 3.602 24 27.84
27 3.602 25 40.91
27 3.602 26 67.56
7 3.793 5 31.24
7 3.793 9 39.02
12 3.953 9 39.02
12 3.953 14 41.73
3 3.983 5 31.24
3 3.983 1 31.712
26 4.007 24 27.84
26 4.007 25 40.91
26 4.007 27 61.73
26 4.045 24 27.84
26 4.045 25 40.91
26 4.045 27 61.73

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Spectral Data   Additional Data   Download  
Type: H,H-NOESY 499.9200134277344
Axis: 1 (H)
Axis: 2 (H)
Atom
Shift
Atom
Shift
18 0.726 12 3.953
18 0.726 21 1.024
18 0.726 15 1.12
11 0.726 18 1.562
20 0.726 18 1.397
19 0.82 4 1.504
23 0.82 19 1.478
1 0.82 19 1.423
19 0.82 3 3.983
21 1.024 12 3.953
15 1.12 15 1.773
16 1.285 16 1.897
17 1.285 16 1.846
4 1.321 3 3.983
24 1.348 11 1.678
24 1.348 5 2.159
7 1.417 6 3.793
1 1.423 5 2.159
1 1.423 3 3.983
23 1.478 11 1.678
3 1.504 4 3.983
11 1.562 12 3.953
2 1.635 5 2.159
2 1.635 3 3.983
11 1.678 5 2.159
11 1.678 14 1.944
9 1.679 12 3.953
5 1.679 9 2.159
9 1.679 14 1.944
15 1.773 14 1.944
25 1.796 26 4.045
25 1.796 27 3.602
14 1.846 17 1.944

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Spectral Data   Additional Data   Download  
Type: H,C-ed. HSQC 499.9200134277344
Axis: 1 (H)
Axis: 2 (C)
Atom
Shift
Atom
Shift
18 0.726 18 11.45
19 0.82 19 8.89
21 1.024 21 16.74
22 1.104 22 35.98
15 1.12 15 22.72
16 1.285 16 27.31
23 1.318 23 23.25
4 1.321 4 35.127
6 1.346 6 36.25
24 1.348 24 27.84
20 1.397 20 35.757
6 1.417 6 36.25
1 1.423 1 31.712
22 1.456 22 35.98
8 1.477 8 39.81
23 1.478 23 23.25
4 1.504 4 35.127
11 1.562 11 27.87
2 1.635 2 28.09
11 1.678 11 27.87
9 1.679 9 39.02
15 1.773 15 22.72
25 1.796 25 40.91
17 1.846 17 47.08
16 1.897 16 27.31
14 1.944 14 41.73
5 2.159 5 31.24
27 3.559 27 61.73
27 3.602 27 61.73
7 3.793 7 67.347
12 3.953 12 72.61
3 3.983 3 65.73
26 4.007 26 67.56
26 4.045 26 67.56

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DOI for this dataset: 10.18716/nmrshiftdb2/60004113/nmredata_mrc_cd3od
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