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Details
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This molecule with other stereoconfigurations:
13C Spectrum | 4110
Rating: 10 |
Type: 13C Unreported
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|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| Prediction 1 acd_lotusv7 | Prediction 2 acd_lotusv7 | Prediction 3 hose_lotusv7 | Prediction 4 hose_lotusv7 |
1
|
D |
109.8 |
| 109.77 | 109.77 | 109.77 | 109.79 | 109.79 |
2
|
S |
143.3 |
| 143.27 | 143.27 | 143.27 | 143.29 | 143.29 |
3
|
S |
148.6 |
| 148.64 | 148.64 | 148.64 | 148.97 | 148.97 |
4
|
D |
97.9 |
| 97.89 | 97.89 | 97.89 | 97.9 | 97.9 |
5
|
S |
150.5 |
| 150.55 | 150.55 | 150.55 | 150.52 | 150.52 |
6
|
S |
118.9 |
| 118.92 | 118.92 | 118.92 | 118.91 | 118.91 |
7
|
D |
124.9 |
| 124.96 | 124.96 | 124.96 | 124.93 | 124.93 |
8
|
D |
124.1 |
| 124.14 | 124.14 | 124.14 | 124.12 | 124.12 |
9
|
Q |
18.6 |
| 18.63 | 18.63 | 18.63 | 18.61 | 18.61 |
11
|
Q |
56.0 |
| 55.97 | 55.97 | 55.97 | 56.17 | 56.17 |
13
|
Q |
56.4 |
| 56.36 | 56.08 | 56.08 | 56.2 | 56.2 |
15
|
Q |
56.5 |
| 56.54 | 56.52 | 56.52 | 56.52 | 56.52 |
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