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This molecule with some stereoconfiguration:
Type: 13C Unreported
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0 dkfz spektren database | Prediction 1 acd_lotusv7 | Prediction 2 hose_lotusv7 |
1
|
S |
169.2 |
| 170.0 | 169.6 | 170.0 |
2
|
T |
40.9 |
| 43.1 | 42.0 | 43.1 |
3
|
S |
169.2 |
| 170.0 | 169.6 | 170.0 |
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Type: 13C Unreported
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
Intensity |
| expt-0
| Prediction 1 acd_lotusv7 | Prediction 2 hose_lotusv7 |
1
|
S |
170.0 |
0.926 |
| 169.2 | 169.6 | 170.0 |
2
|
T |
43.1 |
1.0 |
| 40.9 | 42.0 | 43.1 |
3
|
S |
170.0 |
0.926 |
| 169.2 | 169.6 | 170.0 |
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Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 dkfz spektren database | expt-1
| Prediction 2 hose_lotusv7 |
1
|
S |
169.6 |
| 170.0 | 169.2 | 170.0 |
2
|
T |
42.0 |
| 43.1 | 40.9 | 43.1 |
3
|
S |
169.6 |
| 170.0 | 169.2 | 170.0 |
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Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 dkfz spektren database | expt-1
| Prediction 2 acd_lotusv7 |
1
|
S |
170.0 |
| 170.0 | 169.2 | 169.6 |
2
|
T |
43.1 |
| 43.1 | 40.9 | 42.0 |
3
|
S |
170.0 |
| 170.0 | 169.2 | 169.6 |
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