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This molecule without stereoconfiguration: This molecule with other stereoconfigurations:
Type: 13C 37.5
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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 |
122.121 |
| 123.94 | 123.28 | 123.28 | 122.7 | 122.7 |
2
|
D |
115.563 |
| 116.46 | 115.9 | 115.9 | 115.45 | 115.45 |
3
|
S |
146.536 |
| 150.43 | 149.65 | 149.65 | 149.24 | 149.24 |
4
|
S |
147.543 |
| 149.3 | 148.45 | 148.45 | 148.87 | 148.87 |
5
|
D |
110.889 |
| 111.71 | 111.38 | 111.38 | 115.6 | 115.6 |
6
|
S |
128.024 |
| 127.77 | 126.26 | 126.26 | 125.8 | 125.8 |
7
|
D |
141.068 |
| 146.89 | 145.43 | 145.43 | 144.5 | 144.5 |
8
|
D |
121.641 |
| 115.89 | 115.63 | 115.63 | 115.6 | 115.6 |
9
|
S |
176.148 |
| 170.93 | 168.98 | 168.98 | 168.25 | 168.25 |
14
|
Q |
55.852 |
| 56.44 | 55.97 | 55.97 | 55.7 | 55.7 |
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13C Spectrum | 60006239
Rating: 9 (9: 9: nmrshiftdb2 quality check: accept/reliability: good (admin)) |
Type | 13C |
Measurement conditions
|
Temperature [K] | 298 |
Solvent | Methanol-D4 (CD3OD) |
Field Strength [MHz] | 37.5 |
Assignment Method | 1H, H,H-COSY, H,H-NOESY, H,C-HMQC, H,C-HMBC, DEPTQ, 1H, 13C, 1H, H,H-COSY |
Literature |
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Additional comments | BMRB |
nmrshiftdb2 quality report |
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Additional information |
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Spectrum categories | |
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