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Details
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This molecule with other stereoconfigurations:
13C Spectrum | 60006237
Rating: 9 (9: 9: nmrshiftdb2 quality check: accept/reliability: excellent (admin)) |
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 |
114.3 |
| 115.7 | 114.8 | 114.8 | 114.3 | 114.3 |
2
|
S |
145.4 |
| 147.2 | 146.05 | 146.05 | 145.74 | 145.74 |
3
|
S |
147.9 |
| 149.8 | 148.83 | 148.83 | 149.0 | 149.0 |
4
|
D |
115.7 |
| 117.0 | 115.97 | 115.97 | 116.28 | 116.28 |
5
|
D |
121.0 |
| 123.4 | 122.17 | 122.17 | 121.0 | 121.0 |
6
|
S |
125.9 |
| 128.3 | 127.03 | 127.03 | 125.9 | 125.9 |
7
|
D |
144.6 |
| 147.6 | 145.65 | 145.65 | 144.6 | 144.6 |
8
|
D |
115.0 |
| 116.0 | 115.35 | 115.35 | 115.0 | 115.0 |
9
|
S |
168.2 |
| 171.6 | 169.07 | 169.07 | 168.25 | 168.25 |
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