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Details
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This molecule with other stereoconfigurations:
Type: 13C 
|
|
Atom |
Mult.(coupling const.) |
Prediction
Shift |
| Prediction 0
hose_lotusv7 |
|
1
|
T |
126.30 |
| 128.2 |
|
2
|
S |
146.83 |
| 146.7 |
|
3
|
T |
29.82 |
| 34.17 |
|
4
|
T |
62.95 |
| 68.82 |
|
6
|
S |
167.24 |
| 168.0 |
|
8
|
S |
127.22 |
| 129.2 |
|
9
|
Q |
20.33 |
| 12.0 |
|
10
|
D |
139.37 |
| 136.5 |
|
11
|
Q |
15.56 |
| 15.84 |
|
12
|
S |
199.85 |
| 201.1 |
|
13
|
Q |
26.20 |
| 26.2 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction
Shift |
| Prediction 0
acd_lotusv7 |
|
1
|
T |
128.20 |
| 126.3 |
|
2
|
S |
146.70 |
| 146.83 |
|
3
|
T |
34.17 |
| 29.82 |
|
4
|
T |
68.82 |
| 62.95 |
|
6
|
S |
168.00 |
| 167.24 |
|
8
|
S |
129.20 |
| 127.22 |
|
9
|
Q |
12.00 |
| 20.33 |
|
10
|
D |
136.50 |
| 139.37 |
|
11
|
Q |
15.84 |
| 15.56 |
|
12
|
S |
201.10 |
| 199.85 |
|
13
|
Q |
26.20 |
| 26.2 |
|
|
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