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Details
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Type: 13C Unreported
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0 dkfz spektren database | Prediction 1 acd_lotusv7 | Prediction 2 hose_lotusv7 |
1
|
Q |
13.8 |
| 14.2 | 13.9 | 13.97 |
2
|
T |
22.7 |
| 23.1 | 22.43 | 22.15 |
3
|
T |
32.0 |
| 32.4 | 32.3 | 32.04 |
4
|
T |
29.4 |
| 29.8 | 29.7 | 29.57 |
5
|
T |
29.6 |
| 30.1 | 29.6 | 29.81 |
6
|
T |
29.4 |
| 29.8 | 29.7 | 29.57 |
7
|
T |
32.0 |
| 32.4 | 32.3 | 32.04 |
8
|
T |
22.7 |
| 23.1 | 22.43 | 22.15 |
9
|
Q |
13.8 |
| 14.2 | 13.9 | 13.97 |
|
|
Type: 13C Unreported
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
Intensity |
| expt-0
| Prediction 1 acd_lotusv7 | Prediction 2 hose_lotusv7 |
1
|
Q |
14.2 |
0.61962 |
| 13.8 | 13.9 | 13.97 |
2
|
T |
23.1 |
1.0 |
| 22.7 | 22.43 | 22.15 |
3
|
T |
32.4 |
0.74975 |
| 32.0 | 32.3 | 32.04 |
4
|
T |
29.8 |
0.988989 |
| 29.4 | 29.7 | 29.57 |
5
|
T |
30.1 |
0.456456 |
| 29.6 | 29.6 | 29.81 |
6
|
T |
29.8 |
0.988989 |
| 29.4 | 29.7 | 29.57 |
7
|
T |
32.4 |
0.74975 |
| 32.0 | 32.3 | 32.04 |
8
|
T |
23.1 |
1.0 |
| 22.7 | 22.43 | 22.15 |
9
|
Q |
14.2 |
0.61962 |
| 13.8 | 13.9 | 13.97 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 dkfz spektren database | expt-1
| Prediction 2 hose_lotusv7 |
1
|
Q |
13.90 |
| 14.2 | 13.8 | 13.97 |
2
|
T |
22.43 |
| 23.1 | 22.7 | 22.15 |
3
|
T |
32.30 |
| 32.4 | 32.0 | 32.04 |
4
|
T |
29.70 |
| 29.8 | 29.4 | 29.57 |
5
|
T |
29.60 |
| 30.1 | 29.6 | 29.81 |
6
|
T |
29.70 |
| 29.8 | 29.4 | 29.57 |
7
|
T |
32.30 |
| 32.4 | 32.0 | 32.04 |
8
|
T |
22.43 |
| 23.1 | 22.7 | 22.15 |
9
|
Q |
13.90 |
| 14.2 | 13.8 | 13.97 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 dkfz spektren database | expt-1
| Prediction 2 acd_lotusv7 |
1
|
Q |
13.97 |
| 14.2 | 13.8 | 13.9 |
2
|
T |
22.15 |
| 23.1 | 22.7 | 22.43 |
3
|
T |
32.04 |
| 32.4 | 32.0 | 32.3 |
4
|
T |
29.57 |
| 29.8 | 29.4 | 29.7 |
5
|
T |
29.81 |
| 30.1 | 29.6 | 29.6 |
6
|
T |
29.57 |
| 29.8 | 29.4 | 29.7 |
7
|
T |
32.04 |
| 32.4 | 32.0 | 32.3 |
8
|
T |
22.15 |
| 23.1 | 22.7 | 22.43 |
9
|
Q |
13.97 |
| 14.2 | 13.8 | 13.9 |
|
|
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