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This molecule with other stereoconfigurations:
13C Spectrum | 3753
Rating: 10 |
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0
| Prediction 1 hose_lotusv7 |
1
|
T |
31.4 |
| 31.4 | 31.4 |
2
|
S |
180.2 |
| 180.2 | 180.2 |
3
|
D |
130.6 |
| 130.6 | 130.6 |
4
|
T |
76.0 |
| 76.0 | 76.0 |
6
|
S |
208.9 |
| 208.9 | 208.9 |
8
|
S |
178.9 |
| 178.9 | 178.9 |
10
|
S |
45.2 |
| 45.2 | 45.2 |
11
|
Q |
23.2 |
| 23.2 | 23.2 |
12
|
S |
80.5 |
| 80.5 | 80.5 |
14
|
D |
42.9 |
| 42.9 | 42.9 |
15
|
Q |
13.6 |
| 13.6 | 13.6 |
16
|
S |
60.2 |
| 60.2 | 60.2 |
17
|
D |
80.9 |
| 80.9 | 80.9 |
19
|
S |
171.5 |
| 171.5 | 171.5 |
20
|
Q |
52.7 |
| 52.7 | 52.7 |
23
|
S |
105.9 |
| 105.9 | 105.9 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0
| Prediction 1 acd_lotusv7 |
1
|
T |
31.4 |
| 31.4 | 31.4 |
2
|
S |
180.2 |
| 180.2 | 180.2 |
3
|
D |
130.6 |
| 130.6 | 130.6 |
4
|
T |
76.0 |
| 76.0 | 76.0 |
6
|
S |
208.9 |
| 208.9 | 208.9 |
8
|
S |
178.9 |
| 178.9 | 178.9 |
10
|
S |
45.2 |
| 45.2 | 45.2 |
11
|
Q |
23.2 |
| 23.2 | 23.2 |
12
|
S |
80.5 |
| 80.5 | 80.5 |
14
|
D |
42.9 |
| 42.9 | 42.9 |
15
|
Q |
13.6 |
| 13.6 | 13.6 |
16
|
S |
60.2 |
| 60.2 | 60.2 |
17
|
D |
80.9 |
| 80.9 | 80.9 |
19
|
S |
171.5 |
| 171.5 | 171.5 |
20
|
Q |
52.7 |
| 52.7 | 52.7 |
23
|
S |
105.9 |
| 105.9 | 105.9 |
|
|
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