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This molecule with some stereoconfiguration:
Type: 13C Double click to get resizeable window!
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Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 dkfz spektren database | expt-1 ocmainz inhouse-2 | expt-2 ocmainz inhouse-2 | Prediction 3 hose_lotusv7 |
1
|
S |
112.25 |
| 114.4 | 114.2 | 112.8 | 114.4 |
2
|
S |
162.20 |
| 162.9 | 162.9 | 161.5 | 162.9 |
3
|
D |
117.80 |
| 118.4 | 118.4 | 116.9 | 118.4 |
4
|
D |
135.93 |
| 136.7 | 136.7 | 135.2 | 136.7 |
5
|
D |
119.80 |
| 120.3 | 120.3 | 118.7 | 120.3 |
6
|
D |
130.80 |
| 131.7 | 131.7 | 130.2 | 131.7 |
7
|
S |
172.40 |
| 173.6 | 172.2 | 173.6 |
|
Double click upper part to get resizeable window!
|
Type: 13C Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 dkfz spektren database | expt-1 ocmainz inhouse-2 | expt-2 ocmainz inhouse-2 | Prediction 3 acd_lotusv7 |
1
|
S |
114.4 |
| 114.4 | 114.2 | 112.8 | 112.25 |
2
|
S |
162.9 |
| 162.9 | 162.9 | 161.5 | 162.2 |
3
|
D |
118.4 |
| 118.4 | 118.4 | 116.9 | 117.8 |
4
|
D |
136.7 |
| 136.7 | 136.7 | 135.2 | 135.93 |
5
|
D |
120.3 |
| 120.3 | 120.3 | 118.7 | 119.8 |
6
|
D |
131.7 |
| 131.7 | 131.7 | 130.2 | 130.8 |
7
|
S |
173.6 |
| 173.6 | 172.2 | 172.4 |
|
Double click upper part to get resizeable window!
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