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Details
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Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 sdbs | Prediction 1 hose_lotusv7 |
1
|
Q |
14.20 |
| 14.09 | 13.98 |
2
|
T |
23.15 |
| 22.77 | 22.59 |
3
|
T |
32.13 |
| 31.88 | 31.55 |
4
|
T |
26.75 |
| 26.72 | 26.92 |
5
|
T |
33.95 |
| 34.09 | 31.76 |
6
|
T |
42.47 |
| 42.43 | 41.79 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 sdbs | Prediction 1 acd_lotusv7 |
1
|
Q |
13.98 |
| 14.09 | 14.2 |
2
|
T |
22.59 |
| 22.77 | 23.15 |
3
|
T |
31.55 |
| 31.88 | 32.13 |
4
|
T |
26.92 |
| 26.72 | 26.75 |
5
|
T |
31.76 |
| 34.09 | 33.95 |
6
|
T |
41.79 |
| 42.43 | 42.47 |
|
|
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