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Details
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This molecule without stereoconfiguration: This molecule with other stereoconfigurations:
Type: 13C
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|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 ChiuZ | Prediction 1 hose_lotusv7 |
1
|
S |
153.44 |
| 153.6 | 153.6 |
2
|
S |
141.16 |
| 141.7 | 141.7 |
3
|
S |
151.41 |
| 151.2 | 151.2 |
4
|
S |
125.77 |
| 125.6 | 125.6 |
5
|
S |
134.47 |
| 134.3 | 134.3 |
6
|
D |
108.18 |
| 107.4 | 107.4 |
7
|
S |
136.62 |
| 137.0 | 137.0 |
8
|
S |
151.47 |
| 152.6 | 152.6 |
9
|
D |
52.10 |
| 52.7 | 52.7 |
10
|
T |
37.43 |
| 36.5 | 36.5 |
11
|
T |
29.83 |
| 29.9 | 29.9 |
12
|
D |
137.77 |
| 135.6 | 135.6 |
13
|
D |
115.10 |
| 112.9 | 112.9 |
14
|
S |
164.30 |
| 164.1 | 164.1 |
15
|
S |
178.77 |
| 179.5 | 179.5 |
16
|
D |
130.68 |
| 130.5 | 130.5 |
20
|
S |
168.20 |
| 170.1 | 170.1 |
22
|
Q |
22.90 |
| 22.8 | 22.8 |
23
|
Q |
61.19 |
| 61.6 | 61.53 |
26
|
Q |
61.12 |
| 61.4 | 61.3 |
28
|
Q |
56.20 |
| 56.2 | 56.23 |
30
|
Q |
57.00 |
| 56.5 | 56.3 |
|
|
13C Spectrum | 70148954
Rating: 10 |
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