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Details
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This molecule with other stereoconfigurations:
NMReDATA_MRC/Methanol-D4 (CD3OD)
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Type: 1H 499.9200134277344
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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
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|
1.46, 1.11 |
23-H
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|
1.48, 1.31 |
24-H
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|
1.35 |
25-H
|
(6.1,4.9,6.1,5.3) |
1.80 |
26-H
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ddd (9.8,6.1);ddd (9.8,4.9) |
4.05, 4.00 |
27-H
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ddd (11.1,6.1);ddd (11.1,5.3) |
3.60, 3.56 |
28-H
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|
|
29-H
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30-H
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31-H
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32-H
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Show spectrum in full size
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Type: H,H-COSY 499.9200134277344
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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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Show spectrum in full size
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Type: H,C-HMBC 499.9200134277344
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|
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 |
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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
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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 |
|
Show spectrum in full size
|
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 |
|
Show spectrum in full size
|
Type: H,C-ed. HSQC 499.9200134277344
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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 |
|
Show spectrum in full size
|
Report incorrect data
Copy dataset link
DOI for this dataset: 10.18716/nmrshiftdb2/60004113/nmredata_mrc_cd3od
Copy molecule link
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