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Details
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Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 ChiuZ | Prediction 1 acd_lotusv7 | Prediction 2 hose_lotusv7 |
2
|
T |
48.9 |
| 49.0 | 49.15 | 49.0 |
3
|
T |
19.5 |
| 19.8 | 21.64 | 19.8 |
4
|
T |
28.8 |
| 19.6 | 19.76 | 19.6 |
5
|
T |
33.6 |
| 29.0 | 29.38 | 29.0 |
6
|
S |
170.8 |
| 171.2 | 171.57 | 171.2 |
7
|
T |
37.6 |
| 43.0 | 41.36 | 43.0 |
8
|
T |
19.4 |
| 21.9 | 19.67 | 21.9 |
9
|
Q |
13.7 |
| 13.9 | 13.9 | 13.9 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 ChiuZ | Prediction 1
| Prediction 2 hose_lotusv7 |
2
|
T |
49.15 |
| 49.0 | 48.9 | 49.0 |
3
|
T |
21.64 |
| 19.8 | 19.5 | 19.8 |
4
|
T |
19.76 |
| 19.6 | 28.8 | 19.6 |
5
|
T |
29.38 |
| 29.0 | 33.6 | 29.0 |
6
|
S |
171.57 |
| 171.2 | 170.8 | 171.2 |
7
|
T |
41.36 |
| 43.0 | 37.6 | 43.0 |
8
|
T |
19.67 |
| 21.9 | 19.4 | 21.9 |
9
|
Q |
13.90 |
| 13.9 | 13.7 | 13.9 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 ChiuZ | Prediction 1
| Prediction 2 acd_lotusv7 |
2
|
T |
49.0 |
| 49.0 | 48.9 | 49.15 |
3
|
T |
19.8 |
| 19.8 | 19.5 | 21.64 |
4
|
T |
19.6 |
| 19.6 | 28.8 | 19.76 |
5
|
T |
29.0 |
| 29.0 | 33.6 | 29.38 |
6
|
S |
171.2 |
| 171.2 | 170.8 | 171.57 |
7
|
T |
43.0 |
| 43.0 | 37.6 | 41.36 |
8
|
T |
21.9 |
| 21.9 | 19.4 | 19.67 |
9
|
Q |
13.9 |
| 13.9 | 13.7 | 13.9 |
|
|
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