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Details
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Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 sdbs | Prediction 1 hose_lotusv7 |
3
|
T |
36.45 |
| 36.4 | 31.87 |
4
|
S |
137.92 |
| 136.97 | 135.38 |
5
|
T |
46.83 |
| 46.28 | 50.34 |
6
|
D |
128.04 |
| 128.73 | 128.49 |
7
|
D |
128.04 |
| 128.49 |
8
|
D |
128.25 |
| 128.73 | 128.66 |
9
|
D |
128.25 |
| 128.66 |
10
|
D |
127.10 |
| 127.11 | 126.64 |
11
|
S |
133.52 |
| 128.73 | 131.27 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 sdbs | Prediction 1 acd_lotusv7 |
3
|
T |
31.87 |
| 36.4 | 36.45 |
4
|
S |
135.38 |
| 136.97 | 137.92 |
5
|
T |
50.34 |
| 46.28 | 46.83 |
6
|
D |
128.49 |
| 128.73 | 128.04 |
7
|
D |
128.49 |
| 128.04 |
8
|
D |
128.66 |
| 128.73 | 128.25 |
9
|
D |
128.66 |
| 128.25 |
10
|
D |
126.64 |
| 127.11 | 127.1 |
11
|
S |
131.27 |
| 128.73 | 133.52 |
|
|
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