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This molecule without stereoconfiguration: This molecule with other stereoconfigurations:
Type: 13C Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 hose_lotusv7 |
1
|
T |
119.29 |
| 122.3 |
2
|
S |
139.92 |
| 139.73 |
3
|
S |
169.83 |
| 170.19 |
6
|
D |
79.63 |
| 79.56 |
7
|
T |
34.61 |
| 38.62 |
8
|
S |
137.85 |
| 140.63 |
9
|
D |
125.45 |
| 122.08 |
10
|
T |
25.50 |
| 25.67 |
11
|
T |
27.89 |
| 27.2 |
12
|
D |
38.01 |
| 42.15 |
13
|
Q |
15.55 |
| 16.41 |
14
|
S |
37.33 |
| 39.81 |
15
|
Q |
19.32 |
| 22.05 |
16
|
T |
41.03 |
| 35.89 |
17
|
D |
39.59 |
| 44.98 |
|
Double click upper part to get resizeable window!
|
Type: 13C Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 acd_lotusv7 |
1
|
T |
122.30 |
| 119.29 |
2
|
S |
139.73 |
| 139.92 |
3
|
S |
170.19 |
| 169.83 |
6
|
D |
79.56 |
| 79.63 |
7
|
T |
38.62 |
| 34.61 |
8
|
S |
140.63 |
| 137.85 |
9
|
D |
122.08 |
| 125.45 |
10
|
T |
25.67 |
| 25.5 |
11
|
T |
27.20 |
| 27.89 |
12
|
D |
42.15 |
| 38.01 |
13
|
Q |
16.41 |
| 15.55 |
14
|
S |
39.81 |
| 37.33 |
15
|
Q |
22.05 |
| 19.32 |
16
|
T |
35.89 |
| 41.03 |
17
|
D |
44.98 |
| 39.59 |
|
Double click upper part to get resizeable window!
|
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