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This molecule without stereoconfiguration: This molecule with other stereoconfigurations:
Type: 13C 37.5
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0 sdbs | expt-1
| expt-2
| Prediction 3 acd_lotusv7 | Prediction 4 hose_lotusv7 |
1
|
S |
170.3 |
| 167.87 | 172.9 | 170.3 | 169.9 | 172.9 |
1
|
S |
131.3 |
| 128.34 | 132.5 | 131.3 | 129.6 | 132.5 |
2
|
D |
138.6 |
| 138.59 | 140.0 | 138.6 | 137.0 | 140.0 |
3
|
D |
67.4 |
| 70.32 | 68.5 | 67.4 | 66.3 | 68.5 |
4
|
D |
73.1 |
| 66.74 | 73.8 | 73.1 | 70.9 | 73.8 |
5
|
D |
68.4 |
| 65.42 | 69.3 | 68.4 | 65.6 | 69.3 |
6
|
T |
32.0 |
| 29.89 | 33.1 | 32.0 | 30.2 | 33.1 |
|
|
13C Spectrum | 60006153
Rating: 9 (9: 9: nmrshiftdb2 quality check: accept/reliability: excellent (admin)) |
Type | 13C |
Measurement conditions
|
Temperature [K] | 298 |
Solvent | Methanol-D4 (CD3OD) |
Field Strength [MHz] | 125.0 |
Assignment Method | 1H, H,H-COSY, H,H-NOESY, H,C-HMQC, H,C-HMBC, DEPTQ, 1H, 13C, 1H, H,H-COSY |
Literature |
|
Additional comments | |
nmrshiftdb2 quality report |
Download
|
Additional information |
|
Spectrum categories | |
Type: 13C 100
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0 sdbs | expt-1
| expt-2
| Prediction 3 acd_lotusv7 | Prediction 4 hose_lotusv7 |
1
|
S |
172.9 |
| 167.87 | 170.3 | 170.3 | 169.9 | 172.9 |
2
|
D |
140.0 |
| 138.59 | 138.6 | 138.6 | 137.0 | 140.0 |
3
|
S |
132.5 |
| 128.34 | 131.3 | 131.3 | 129.6 | 132.5 |
4
|
T |
33.1 |
| 29.89 | 32.0 | 32.0 | 30.2 | 33.1 |
5
|
D |
69.3 |
| 65.42 | 68.4 | 68.4 | 65.6 | 69.3 |
6
|
D |
73.8 |
| 66.74 | 73.1 | 73.1 | 70.9 | 73.8 |
7
|
D |
68.5 |
| 70.32 | 67.4 | 67.4 | 66.3 | 68.5 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 sdbs | expt-1
| expt-2
| expt-3
| Prediction 4 hose_lotusv7 |
1
|
S |
169.9 |
| 167.87 | 172.9 | 170.3 | 170.3 | 172.9 |
2
|
D |
137.0 |
| 138.59 | 140.0 | 138.6 | 138.6 | 140.0 |
3
|
S |
129.6 |
| 128.34 | 132.5 | 131.3 | 131.3 | 132.5 |
4
|
T |
30.2 |
| 29.89 | 33.1 | 32.0 | 32.0 | 33.1 |
5
|
D |
65.6 |
| 65.42 | 69.3 | 68.4 | 68.4 | 69.3 |
6
|
D |
70.9 |
| 66.74 | 73.8 | 73.1 | 73.1 | 73.8 |
7
|
D |
66.3 |
| 70.32 | 68.5 | 67.4 | 67.4 | 68.5 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 sdbs | expt-1
| expt-2
| expt-3
| Prediction 4 acd_lotusv7 |
1
|
S |
172.9 |
| 167.87 | 172.9 | 170.3 | 170.3 | 169.9 |
2
|
D |
140.0 |
| 138.59 | 140.0 | 138.6 | 138.6 | 137.0 |
3
|
S |
132.5 |
| 128.34 | 132.5 | 131.3 | 131.3 | 129.6 |
4
|
T |
33.1 |
| 29.89 | 33.1 | 32.0 | 32.0 | 30.2 |
5
|
D |
69.3 |
| 65.42 | 69.3 | 68.4 | 68.4 | 65.6 |
6
|
D |
73.8 |
| 66.74 | 73.8 | 73.1 | 73.1 | 70.9 |
7
|
D |
68.5 |
| 70.32 | 68.5 | 67.4 | 67.4 | 66.3 |
|
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