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Details
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Type: 13C Unreported
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0 Chemikalienlager Uni Mainz | Prediction 1 acd_lotusv7 | Prediction 2 hose_lotusv7 |
1
|
Q |
29.3 |
| 29.8571 | 29.37 | 29.3 |
2
|
S |
206.6 |
| 209.303 | 207.45 | 206.6 |
3
|
T |
45.2 |
| 45.6544 | 45.27 | 45.2 |
5
|
T |
17.5 |
| 17.2578 | 17.4 | 17.5 |
6
|
Q |
13.5 |
| 13.6638 | 13.57 | 13.5 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0
| expt-1 Chemikalienlager Uni Mainz | Prediction 2 hose_lotusv7 |
1
|
Q |
29.37 |
| 29.3 | 29.8571 | 29.3 |
2
|
S |
207.45 |
| 206.6 | 209.303 | 206.6 |
3
|
T |
45.27 |
| 45.2 | 45.6544 | 45.2 |
5
|
T |
17.40 |
| 17.5 | 17.2578 | 17.5 |
6
|
Q |
13.57 |
| 13.5 | 13.6638 | 13.5 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0
| expt-1 Chemikalienlager Uni Mainz | Prediction 2 acd_lotusv7 |
1
|
Q |
29.3 |
| 29.3 | 29.8571 | 29.37 |
2
|
S |
206.6 |
| 206.6 | 209.303 | 207.45 |
3
|
T |
45.2 |
| 45.2 | 45.6544 | 45.27 |
5
|
T |
17.5 |
| 17.5 | 17.2578 | 17.4 |
6
|
Q |
13.5 |
| 13.5 | 13.6638 | 13.57 |
|
|
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