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Details
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Type: 13C Unreported
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0 ocmainz inhouse-2 | expt-1 Chemikalienlager Uni Mainz | Prediction 2 acd_lotusv7 | Prediction 3 hose_lotusv7 |
1
|
T |
62.9 |
| 61.4 | 62.6778 | 61.85 | 62.15 |
3
|
T |
36.0 |
|
4
|
T |
20.3 |
| 35.0 | 34.8236 | 34.87 | 35.5 |
5
|
Q |
15.2 |
| 19.1 | 18.872 | 19.05 | 19.7 |
|
|
Type: 13C Unreported
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| expt-1 Chemikalienlager Uni Mainz | Prediction 2 acd_lotusv7 | Prediction 3 hose_lotusv7 |
1
|
T |
61.4 |
| 62.9 | 62.6778 | 61.85 | 62.15 |
3
|
T |
35.0 |
|
4
|
T |
19.1 |
| 36.0 | 34.8236 | 34.87 | 35.5 |
5
|
Q |
13.6 |
| 20.3 | 18.872 | 19.05 | 19.7 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0
| expt-1 ocmainz inhouse-2 | expt-2 Chemikalienlager Uni Mainz | Prediction 3 hose_lotusv7 |
1
|
T |
61.85 |
| 62.9 | 61.4 | 62.6778 | 62.15 |
3
|
T |
34.87 |
|
4
|
T |
19.05 |
| 36.0 | 35.0 | 34.8236 | 35.5 |
5
|
Q |
13.76 |
| 20.3 | 19.1 | 18.872 | 19.7 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0
| expt-1 ocmainz inhouse-2 | expt-2 Chemikalienlager Uni Mainz | Prediction 3 acd_lotusv7 |
1
|
T |
62.15 |
| 62.9 | 61.4 | 62.6778 | 61.85 |
3
|
T |
35.50 |
|
4
|
T |
19.70 |
| 36.0 | 35.0 | 34.8236 | 34.87 |
5
|
Q |
14.40 |
| 20.3 | 19.1 | 18.872 | 19.05 |
|
|
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