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This molecule without stereoconfiguration: This molecule with other stereoconfigurations:
Type: 13C 150.0
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Atom |
Mult.(coupling const.) |
Meas. Shift |
| Prediction 0 acd_lotusv7 | Prediction 1 hose_lotusv7 |
1
|
S |
172.3850 |
| 174.4 | 173.37 |
2
|
D |
56.3474 |
| 57.7 | 57.4 |
3
|
T |
60.1336 |
| 61.9 | 61.31 |
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Type: 13C
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Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 Chemikalienlager Uni Mainz | Prediction 1 hose_lotusv7 |
1
|
S |
174.4 |
| 172.385 | 173.37 |
2
|
D |
57.7 |
| 56.3474 | 57.4 |
6
|
T |
61.9 |
| 60.1336 | 61.31 |
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Type: 13C
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|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 Chemikalienlager Uni Mainz | Prediction 1 acd_lotusv7 |
1
|
S |
173.37 |
| 172.385 | 174.4 |
2
|
D |
57.40 |
| 56.3474 | 57.7 |
6
|
T |
61.31 |
| 60.1336 | 61.9 |
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