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This molecule with some stereoconfiguration:
Type: 13C Unreported Double click to get resizeable window!
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|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0 sdbs | Prediction 1 acd_lotusv7 | Prediction 2 hose_lotusv7 |
1
|
D |
118.1 |
| 118.06 | 118.18 | 118.1 |
2
|
D |
118.3 |
| 118.3 | 119.43 | 119.22 |
3
|
D |
120.8 |
| 120.75 | 119.55 | 120.24 |
4
|
D |
111.3 |
| 111.29 | 111.36 | 111.2 |
5
|
S |
136.3 |
| 136.34 | 136.53 | 136.3 |
6
|
S |
127.4 |
| 127.4 | 127.38 | 127.4 |
7
|
D |
122.5 |
| 122.53 | 122.57 | 122.5 |
8
|
S |
112.6 |
| 112.6 | 112.6 | 112.6 |
9
|
T |
29.6 |
| 29.55 | 28.58 | 29.6 |
10
|
T |
42.7 |
| 42.71 | 41.79 | 42.7 |
|
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|
13C Spectrum | 60021974
Rating: 10 |
Type | 13C |
Prediction conditions
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Program | ACD/Labs C+H NMR Predictors and DB, 2020.1.0 |
Literature |
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Additional comments | ID: 1833; SMILES_ID: Q409439_7903; multplicities generated from proton count |
Additional information |
|
Spectrum categories | acd_lotusv7 |
Type: 13C Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 ocmainz inhouse-2 | expt-1 sdbs | Prediction 2 acd_lotusv7 |
1
|
D |
118.10 |
| 118.1 | 118.06 | 118.18 |
2
|
D |
119.22 |
| 118.3 | 118.3 | 119.43 |
3
|
D |
120.24 |
| 120.8 | 120.75 | 119.55 |
4
|
D |
111.20 |
| 111.3 | 111.29 | 111.36 |
5
|
S |
136.30 |
| 136.3 | 136.34 | 136.53 |
6
|
S |
127.40 |
| 127.4 | 127.4 | 127.38 |
7
|
D |
122.50 |
| 122.5 | 122.53 | 122.57 |
8
|
S |
112.60 |
| 112.6 | 112.6 | 112.6 |
9
|
T |
29.60 |
| 29.6 | 29.55 | 28.58 |
10
|
T |
42.70 |
| 42.7 | 42.71 | 41.79 |
|
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