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This molecule without stereoconfiguration: This molecule with other stereoconfigurations:
13C Spectrum | 60006569
Rating: 10 (10: nmrshiftdb2 quality check: 10 (accept)/reliability: excellent (admin)) |
Type: 13C 125.0 Double click to get resizeable window!
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|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0 sdbs | expt-1
| expt-2
| Prediction 3 acd_lotusv7 | Prediction 4 hose_lotusv7 |
1
|
S |
131.3 |
| 128.34 | 132.5 | 131.3 | 129.6 | 132.5 |
2
|
D |
138.6 |
| 138.59 | 140.0 | 138.6 | 137.0 | 140.0 |
3
|
D |
67.4 |
| 70.32 | 68.5 | 67.4 | 66.3 | 68.5 |
4
|
D |
73.1 |
| 66.74 | 73.8 | 73.1 | 70.9 | 73.8 |
5
|
D |
68.4 |
| 65.42 | 69.3 | 68.4 | 65.6 | 69.3 |
6
|
T |
32.0 |
| 29.89 | 33.1 | 32.0 | 30.2 | 33.1 |
7
|
S |
170.3 |
| 167.87 | 172.9 | 170.3 | 169.9 | 172.9 |
|
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|
Type: 13C 100 Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0 sdbs | expt-1
| expt-2
| Prediction 3 acd_lotusv7 | Prediction 4 hose_lotusv7 |
1
|
S |
172.9 |
| 167.87 | 170.3 | 170.3 | 169.9 | 172.9 |
2
|
D |
140.0 |
| 138.59 | 138.6 | 138.6 | 137.0 | 140.0 |
3
|
S |
132.5 |
| 128.34 | 131.3 | 131.3 | 129.6 | 132.5 |
4
|
T |
33.1 |
| 29.89 | 32.0 | 32.0 | 30.2 | 33.1 |
5
|
D |
69.3 |
| 65.42 | 68.4 | 68.4 | 65.6 | 69.3 |
6
|
D |
73.8 |
| 66.74 | 73.1 | 73.1 | 70.9 | 73.8 |
7
|
D |
68.5 |
| 70.32 | 67.4 | 67.4 | 66.3 | 68.5 |
|
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|
Type: 1H 125.0 Double click to get resizeable window!
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|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0 sdbs |
2-H
|
|
6.81 |
| 6.584 |
3-H
|
|
4.41 |
| 4.22 |
4-H
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|
3.72 |
| 3.56 |
5-H
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|
4.01 |
| 3.847 |
6-H
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|
2.72, 2.20 |
| 2.407 |
8-H
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9-H
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10-H
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12-H
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Double click upper part to get resizeable window!
|
Type: 13C Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 sdbs | expt-1
| expt-2
| expt-3
| Prediction 4 hose_lotusv7 |
1
|
S |
169.9 |
| 167.87 | 172.9 | 170.3 | 170.3 | 172.9 |
2
|
D |
137.0 |
| 138.59 | 140.0 | 138.6 | 138.6 | 140.0 |
3
|
S |
129.6 |
| 128.34 | 132.5 | 131.3 | 131.3 | 132.5 |
4
|
T |
30.2 |
| 29.89 | 33.1 | 32.0 | 32.0 | 33.1 |
5
|
D |
65.6 |
| 65.42 | 69.3 | 68.4 | 68.4 | 69.3 |
6
|
D |
70.9 |
| 66.74 | 73.8 | 73.1 | 73.1 | 73.8 |
7
|
D |
66.3 |
| 70.32 | 68.5 | 67.4 | 67.4 | 68.5 |
|
Double click upper part to get resizeable window!
|
Type: 13C Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 sdbs | expt-1
| expt-2
| expt-3
| Prediction 4 acd_lotusv7 |
1
|
S |
172.9 |
| 167.87 | 172.9 | 170.3 | 170.3 | 169.9 |
2
|
D |
140.0 |
| 138.59 | 140.0 | 138.6 | 138.6 | 137.0 |
3
|
S |
132.5 |
| 128.34 | 132.5 | 131.3 | 131.3 | 129.6 |
4
|
T |
33.1 |
| 29.89 | 33.1 | 32.0 | 32.0 | 30.2 |
5
|
D |
69.3 |
| 65.42 | 69.3 | 68.4 | 68.4 | 65.6 |
6
|
D |
73.8 |
| 66.74 | 73.8 | 73.1 | 73.1 | 70.9 |
7
|
D |
68.5 |
| 70.32 | 68.5 | 67.4 | 67.4 | 66.3 |
|
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