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This molecule with some stereoconfiguration:
Type: 13C Unreported Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| Prediction 0 acd_lotusv7 | Prediction 1 hose_lotusv7 |
7
|
S |
172.54 |
| 168.92 | 172.54 |
1
|
D |
133.81 |
| 133.88 | 133.81 |
3
|
D |
130.21 |
| 130.23 | 130.21 |
5
|
D |
130.21 |
| 130.23 | 130.21 |
4
|
S |
129.34 |
| 130.54 | 129.34 |
2
|
D |
128.47 |
| 129.03 | 128.47 |
6
|
D |
128.47 |
| 129.03 | 128.47 |
|
Double click upper part to get resizeable window!
|
Type: 13C Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 ocmainz inhouse database | Prediction 1 hose_lotusv7 |
7
|
S |
168.92 |
| 172.54 | 172.54 |
1
|
D |
133.88 |
| 133.81 | 133.81 |
4
|
S |
130.54 |
| 129.34 | 129.34 |
3
|
D |
130.23 |
| 130.21 | 130.21 |
5
|
D |
130.23 |
| 130.21 | 130.21 |
2
|
D |
129.03 |
| 128.47 | 128.47 |
6
|
D |
129.03 |
| 128.47 | 128.47 |
|
Double click upper part to get resizeable window!
|
Type: 13C Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 ocmainz inhouse database | Prediction 1 acd_lotusv7 |
7
|
S |
172.54 |
| 172.54 | 168.92 |
1
|
D |
133.81 |
| 133.81 | 133.88 |
3
|
D |
130.21 |
| 130.21 | 130.23 |
5
|
D |
130.21 |
| 130.21 | 130.23 |
4
|
S |
129.34 |
| 129.34 | 130.54 |
2
|
D |
128.47 |
| 128.47 | 129.03 |
6
|
D |
128.47 |
| 128.47 | 129.03 |
|
Double click upper part to get resizeable window!
|
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