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Details
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This molecule with some stereoconfiguration:
Type: 13C Unreported
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0 dkfz spektren database | expt-1
| Prediction 2 acd_lotusv7 | Prediction 3 hose_lotusv7 |
1
|
S |
175.7 |
| 177.2 | 176.9 | 175.45 | 176.55 |
2
|
Q |
20.3 |
| 20.7 | 20.8 | 20.7 | 20.59 |
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|
Type: 13C Unreported
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0 dkfz spektren database | expt-1
| Prediction 2 acd_lotusv7 | Prediction 3 hose_lotusv7 |
1
|
S |
176.9 |
| 177.2 | 175.7 | 175.45 | 176.55 |
2
|
Q |
20.8 |
| 20.7 | 20.3 | 20.7 | 20.59 |
|
|
Type: 1H 300.1
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| expt-1
| expt-2
| expt-3
| expt-4
| expt-5
| expt-6
|
2-H
|
|
2.08 |
| 2.12 | 2.1 | 1.96 | 1.91 | 1.55 | 1.96 | 1.99 |
3-H
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Type: 1H 300.1
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| expt-1
| expt-2
| expt-3
| expt-4
| expt-5
| expt-6
|
2-H
|
|
1.99 |
| 2.12 | 2.1 | 1.96 | 1.91 | 1.55 | 1.96 | 2.08 |
3-H
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Type: 1H 300.1
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| expt-1
| expt-2
| expt-3
| expt-4
| expt-5
| expt-6
|
2-H
|
|
1.96 |
| 2.12 | 2.1 | 1.96 | 1.91 | 1.55 | 1.99 | 2.08 |
3-H
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Type: 1H 300.1
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| expt-1
| expt-2
| expt-3
| expt-4
| expt-5
| expt-6
|
2-H
|
|
1.55 |
| 2.12 | 2.1 | 1.96 | 1.91 | 1.96 | 1.99 | 2.08 |
3-H
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|
Type: 1H 300.1
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| expt-1
| expt-2
| expt-3
| expt-4
| expt-5
| expt-6
|
2-H
|
|
1.91 |
| 2.12 | 2.1 | 1.96 | 1.55 | 1.96 | 1.99 | 2.08 |
3-H
|
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|
|
|
|
Type: 1H 300.1
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| expt-1
| expt-2
| expt-3
| expt-4
| expt-5
| expt-6
|
2-H
|
|
1.96 |
| 2.12 | 2.1 | 1.91 | 1.55 | 1.96 | 1.99 | 2.08 |
3-H
|
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|
|
Type: 1H 300.1
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| expt-1
| expt-2
| expt-3
| expt-4
| expt-5
| expt-6
|
2-H
|
|
2.1 |
| 2.12 | 1.96 | 1.91 | 1.55 | 1.96 | 1.99 | 2.08 |
3-H
|
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|
Type: 1H 60
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| expt-1
| expt-2
| expt-3
| expt-4
| expt-5
| expt-6
|
2-H
|
|
2.12 |
| 2.1 | 1.96 | 1.91 | 1.55 | 1.96 | 1.99 | 2.08 |
3-H
|
|
|
|
|
|
Type: 13C Unreported
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
Intensity |
| expt-0
| expt-1
| Prediction 2 acd_lotusv7 | Prediction 3 hose_lotusv7 |
1
|
S |
177.2 |
0.89 |
| 176.9 | 175.7 | 175.45 | 176.55 |
2
|
Q |
20.7 |
1.0 |
| 20.8 | 20.3 | 20.7 | 20.59 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 dkfz spektren database | expt-1
| expt-2
| Prediction 3 hose_lotusv7 |
1
|
S |
175.45 |
| 177.2 | 176.9 | 175.7 | 176.55 |
2
|
Q |
20.70 |
| 20.7 | 20.8 | 20.3 | 20.59 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 dkfz spektren database | expt-1
| expt-2
| Prediction 3 acd_lotusv7 |
1
|
S |
176.55 |
| 177.2 | 176.9 | 175.7 | 175.45 |
2
|
Q |
20.59 |
| 20.7 | 20.8 | 20.3 | 20.7 |
|
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