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This molecule without stereoconfiguration: This molecule with other stereoconfigurations:
Type: 13C Unreported Double click to get resizeable window!
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|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| Prediction 0 acd_lotusv7 | Prediction 1 hose_lotusv7 |
6
|
S |
173.1 |
| 176.5 | 173.1 |
5
|
D |
58.6 |
| 59.5 | 58.6 |
4
|
Q |
14.2 |
| 15.0 | 15.01 |
3
|
D |
35.5 |
| 36.9 | 35.5 |
2
|
T |
24.2 |
| 24.6 | 24.2 |
1
|
Q |
10.8 |
| 11.14 | 10.8 |
|
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|
Type: 13C Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 ocmainz inhouse-2 | Prediction 1 hose_lotusv7 |
6
|
S |
176.50 |
| 173.1 | 173.1 |
5
|
D |
59.50 |
| 58.6 | 58.6 |
4
|
Q |
15.00 |
| 14.2 | 15.01 |
3
|
D |
36.90 |
| 35.5 | 35.5 |
2
|
T |
24.60 |
| 24.2 | 24.2 |
1
|
Q |
11.14 |
| 10.8 | 10.8 |
|
Double click upper part to get resizeable window!
|
Type: 13C Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 ocmainz inhouse-2 | Prediction 1 acd_lotusv7 |
6
|
S |
173.10 |
| 173.1 | 176.5 |
5
|
D |
58.60 |
| 58.6 | 59.5 |
4
|
Q |
15.01 |
| 14.2 | 15.0 |
3
|
D |
35.50 |
| 35.5 | 36.9 |
2
|
T |
24.20 |
| 24.2 | 24.6 |
1
|
Q |
10.80 |
| 10.8 | 11.14 |
|
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