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This molecule with some stereoconfiguration:
13C Spectrum | 10039114
Rating: 10 |
Type: 13C Unreported Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| Prediction 1 acd_lotusv7 | Prediction 2 hose_lotusv7 |
1
|
S |
174.47 |
| 175.0 | 176.5 | 174.41 |
2
|
D |
59.92 |
| 60.9 | 59.5 | 60.41 |
3
|
D |
36.10 |
| 37.1 | 36.9 | 36.6 |
4
|
T |
24.76 |
| 25.6 | 24.6 | 25.18 |
5
|
Q |
11.53 |
| 12.2 | 11.14 | 11.87 |
12
|
Q |
14.93 |
| 15.9 | 15.0 | 15.41 |
|
Double click upper part to get resizeable window!
|
Type: 13C Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0
| expt-1 Speclib | Prediction 2 hose_lotusv7 |
1
|
S |
176.50 |
| 175.0 | 174.47 | 174.41 |
2
|
D |
59.50 |
| 60.9 | 59.92 | 60.41 |
3
|
D |
36.90 |
| 37.1 | 36.1 | 36.6 |
4
|
T |
24.60 |
| 25.6 | 24.76 | 25.18 |
5
|
Q |
11.14 |
| 12.2 | 11.53 | 11.87 |
12
|
Q |
15.00 |
| 15.9 | 14.93 | 15.41 |
|
Double click upper part to get resizeable window!
|
Type: 13C Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0
| expt-1 Speclib | Prediction 2 acd_lotusv7 |
1
|
S |
174.41 |
| 175.0 | 174.47 | 176.5 |
2
|
D |
60.41 |
| 60.9 | 59.92 | 59.5 |
3
|
D |
36.60 |
| 37.1 | 36.1 | 36.9 |
4
|
T |
25.18 |
| 25.6 | 24.76 | 24.6 |
5
|
Q |
11.87 |
| 12.2 | 11.53 | 11.14 |
12
|
Q |
15.41 |
| 15.9 | 14.93 | 15.0 |
|
Double click upper part to get resizeable window!
|
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