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Other tautomers of this molecule:
Type: 13C Unreported Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0 ocmainz inhouse-2 | Prediction 1 acd_lotusv7 | Prediction 2 hose_lotusv7 |
5
|
S |
165.0 |
| 162.3 | 118.95 | 121.1 |
1
|
D |
142.0 |
| 140.8 |
3
|
D |
136.1 |
| 135.2 | 107.0 | 107.0 |
6
|
D |
120.8 |
| 120.1 | 142.8 | 142.8 |
2
|
D |
106.5 |
| 106.7 | 164.5 | 164.5 |
|
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|
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 |
5
|
S |
162.3 |
| 165.0 | 118.95 | 121.1 |
1
|
D |
140.8 |
| 142.0 |
3
|
D |
135.2 |
| 136.1 | 107.0 | 107.0 |
6
|
D |
120.1 |
| 120.8 | 142.8 | 142.8 |
2
|
D |
106.7 |
| 106.5 | 164.5 | 164.5 |
|
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 ocmainz inhouse-2 | Prediction 2 hose_lotusv7 |
2
|
S |
164.50 |
| 106.5 | 106.7 | 164.5 |
6
|
D |
142.80 |
| 120.8 | 120.1 | 142.8 |
4
|
D |
136.60 |
| 136.6 |
5
|
D |
118.95 |
| 165.0 | 162.3 | 121.1 |
3
|
D |
107.00 |
| 136.1 | 135.2 | 107.0 |
|
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 ocmainz inhouse-2 | Prediction 2 acd_lotusv7 |
2
|
S |
164.5 |
| 106.5 | 106.7 | 164.5 |
6
|
D |
142.8 |
| 120.8 | 120.1 | 142.8 |
4
|
D |
136.6 |
| 136.6 |
5
|
D |
121.1 |
| 165.0 | 162.3 | 118.95 |
3
|
D |
107.0 |
| 136.1 | 135.2 | 107.0 |
|
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|
Type: 1H Unreported Double click to get resizeable window!
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|
Atom |
Mult.(coupling const.) |
Meas. Shift |
4-H
|
|
13.650 (H 8) |
1-H
|
|
7.487 |
3-H
|
|
7.421 |
6-H
|
|
6.599 |
2-H
|
|
6.303 |
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