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This molecule with some stereoconfiguration:
Type: 13C Unreported
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0 Speclib | Prediction 1 acd_lotusv7 | Prediction 2 hose_lotusv7 |
1
|
T |
42.8 |
| 42.74 | 42.5 | 42.77 |
2
|
S |
173.6 |
| 173.58 | 173.5 | 173.59 |
|
|
Type: 13C Unreported
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| Prediction 1 acd_lotusv7 | Prediction 2 hose_lotusv7 |
1
|
T |
42.74 |
| 42.8 | 42.5 | 42.77 |
2
|
S |
173.58 |
| 173.6 | 173.5 | 173.59 |
|
|
13C Spectrum | 60020391
Rating: 10 |
Type | 13C |
Prediction conditions
|
Program | ACD/Labs C+H NMR Predictors and DB, 2020.1.0 |
Literature |
|
Additional comments | ID: 243; SMILES_ID: Q620730_1098; multplicities generated from proton count |
Additional information |
|
Spectrum categories | acd_lotusv7 |
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0
| expt-1 Speclib | Prediction 2 acd_lotusv7 |
1
|
T |
42.77 |
| 42.8 | 42.74 | 42.5 |
2
|
S |
173.59 |
| 173.6 | 173.58 | 173.5 |
|
|
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