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Details
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This molecule with some stereoconfiguration:
Type: 13C 500
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Atom |
Mult.(coupling const.) |
Meas. Shift |
Intensity |
| Prediction 0 acd_lotusv7 | Prediction 1 acd_lotusv7 | Prediction 2 hose_lotusv7 | Prediction 3 hose_lotusv7 |
10
|
Q |
22.60 |
0.95 |
| 22.53 | 22.53 | 22.6 | 22.6 |
9
|
S |
147.33 |
0.79 |
| 145.72 | 147.71 | 147.33 | 147.33 |
8
|
Q |
22.66 |
0.88 |
| 23.39 | 20.92 | 24.78 | 24.78 |
7
|
Q |
26.90 |
0.97 |
| 25.64 | 26.63 | 24.78 | 24.78 |
6
|
D |
47.78 |
1.0 |
| 47.72 | 47.72 | 47.78 | 47.78 |
5
|
D |
119.38 |
0.97 |
| 119.05 | 119.05 | 119.38 | 119.38 |
4
|
T |
35.58 |
0.88 |
| 27.11 | 31.97 | 35.58 | 35.58 |
3
|
S |
38.96 |
0.68 |
| 42.21 | 42.45 | 38.96 | 38.96 |
2
|
D |
73.54 |
0.99 |
| 68.39 | 71.64 | 73.54 | 73.54 |
1
|
D |
48.24 |
1.0 |
| 47.7 | 47.7 | 48.24 | 48.24 |
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