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This molecule with other stereoconfigurations:
Type: 13C Unreported Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| Prediction 0 acd_lotusv7 | Prediction 1 hose_lotusv7 |
1
|
T |
29.5 |
| 25.76 | 29.5 |
2
|
D |
32.9 |
| 32.95 | 30.2 |
3
|
S |
96.7 |
| 96.78 | 96.75 |
4
|
S |
174.7 |
| 174.75 | 174.7 |
5
|
T |
29.0 |
| 29.4 | 29.3 |
6
|
T |
20.8 |
| 20.86 | 20.8 |
7
|
T |
37.4 |
| 37.46 | 37.4 |
8
|
D |
76.5 |
| 76.56 | 74.8 |
9
|
S |
171.8 |
| 171.78 | 171.05 |
10
|
Q |
21.7 |
| 21.69 | 21.7 |
|
Double click upper part to get resizeable window!
|
Type: 13C Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 ocmainz inhouse-2 | Prediction 1 hose_lotusv7 |
1
|
T |
25.76 |
| 29.5 | 29.5 |
2
|
D |
32.95 |
| 32.9 | 30.2 |
3
|
S |
96.78 |
| 96.7 | 96.75 |
4
|
S |
174.75 |
| 174.7 | 174.7 |
5
|
T |
29.40 |
| 29.0 | 29.3 |
6
|
T |
20.86 |
| 20.8 | 20.8 |
7
|
T |
37.46 |
| 37.4 | 37.4 |
8
|
D |
76.56 |
| 76.5 | 74.8 |
9
|
S |
171.78 |
| 171.8 | 171.05 |
10
|
Q |
21.69 |
| 21.7 | 21.7 |
|
Double click upper part to get resizeable window!
|
Type: 13C Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 ocmainz inhouse-2 | Prediction 1 acd_lotusv7 |
1
|
T |
29.50 |
| 29.5 | 25.76 |
2
|
D |
30.20 |
| 32.9 | 32.95 |
3
|
S |
96.75 |
| 96.7 | 96.78 |
4
|
S |
174.70 |
| 174.7 | 174.75 |
5
|
T |
29.30 |
| 29.0 | 29.4 |
6
|
T |
20.80 |
| 20.8 | 20.86 |
7
|
T |
37.40 |
| 37.4 | 37.46 |
8
|
D |
74.80 |
| 76.5 | 76.56 |
9
|
S |
171.05 |
| 171.8 | 171.78 |
10
|
Q |
21.70 |
| 21.7 | 21.69 |
|
Double click upper part to get resizeable window!
|
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