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Details
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Type: 13C 23
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
Intensity |
| Prediction 0 acd_lotusv7 | Prediction 1 hose_lotusv7 |
1
|
S |
170.7 |
0.475 |
| 171.67 | 170.7 |
2
|
Q |
20.8 |
0.524 |
| 20.6 | 20.91 |
3
|
T |
64.3 |
0.964 |
| 64.37 | 64.3 |
4
|
T |
31.2 |
0.984 |
| 30.72 | 31.2 |
5
|
T |
19.5 |
0.88 |
| 19.12 | 19.5 |
6
|
Q |
13.8 |
1.0 |
| 13.51 | 13.42 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 dkfz spektren database | Prediction 1 hose_lotusv7 |
1
|
S |
171.67 |
| 170.7 | 170.7 |
2
|
Q |
20.60 |
| 20.8 | 20.91 |
3
|
T |
64.37 |
| 64.3 | 64.3 |
4
|
T |
30.72 |
| 31.2 | 31.2 |
5
|
T |
19.12 |
| 19.5 | 19.5 |
6
|
Q |
13.51 |
| 13.8 | 13.42 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 dkfz spektren database | Prediction 1 acd_lotusv7 |
1
|
S |
170.70 |
| 170.7 | 171.67 |
2
|
Q |
20.91 |
| 20.8 | 20.6 |
3
|
T |
64.30 |
| 64.3 | 64.37 |
4
|
T |
31.20 |
| 31.2 | 30.72 |
5
|
T |
19.50 |
| 19.5 | 19.12 |
6
|
Q |
13.42 |
| 13.8 | 13.51 |
|
|
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