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Details
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Other tautomers of this molecule:
Type: 13C Unreported
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0 Speclib | Prediction 1 acd_lotusv7 | Prediction 2 hose_lotusv7 |
1
|
S |
155.3 |
| 168.03 | 155.4 | 161.66 |
3
|
D |
144.5 |
| 151.71 | 144.6 | 148.1 |
5
|
S |
153.2 |
| 160.85 | 153.2 | 157.03 |
6
|
S |
119.2 |
| 125.1 | 119.2 | 122.15 |
8
|
D |
140.2 |
| 151.37 | 140.2 | 145.78 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| Prediction 1 acd_lotusv7 | Prediction 2 hose_lotusv7 |
1
|
S |
168.03 |
| 155.3 | 155.4 | 161.66 |
3
|
D |
151.71 |
| 144.5 | 144.6 | 148.1 |
5
|
S |
160.85 |
| 153.2 | 153.2 | 157.03 |
6
|
S |
125.10 |
| 119.2 | 119.2 | 122.15 |
8
|
D |
151.37 |
| 140.2 | 140.2 | 145.78 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0
| expt-1 Speclib | Prediction 2 hose_lotusv7 |
1
|
S |
155.4 |
| 155.3 | 168.03 | 161.66 |
3
|
D |
144.6 |
| 144.5 | 151.71 | 148.1 |
5
|
S |
153.2 |
| 153.2 | 160.85 | 157.03 |
6
|
S |
119.2 |
| 119.2 | 125.1 | 122.15 |
8
|
D |
140.2 |
| 140.2 | 151.37 | 145.78 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0
| expt-1 Speclib | Prediction 2 acd_lotusv7 |
1
|
S |
161.66 |
| 155.3 | 168.03 | 155.4 |
3
|
D |
148.10 |
| 144.5 | 151.71 | 144.6 |
5
|
S |
157.03 |
| 153.2 | 160.85 | 153.2 |
6
|
S |
122.15 |
| 119.2 | 125.1 | 119.2 |
8
|
D |
145.78 |
| 140.2 | 151.37 | 140.2 |
|
|
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