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Details
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Type: 13C Unreported
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0 dkfz spektren database | expt-1 Speclib | Prediction 2 acd_lotusv7 | Prediction 3 hose_lotusv7 |
1
|
S |
170.6 |
| 170.7 | 170.98 | 171.79 | 170.77 |
2
|
Q |
21.0 |
| 20.9 | 21.02 | 20.93 | 20.98 |
3
|
T |
60.3 |
| 60.4 | 60.6 | 60.79 | 60.44 |
4
|
Q |
14.2 |
| 14.4 | 14.49 | 14.23 | 14.36 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0 dkfz spektren database | expt-1
| Prediction 2 acd_lotusv7 | Prediction 3 hose_lotusv7 |
1
|
S |
170.98 |
| 170.7 | 170.6 | 171.79 | 170.77 |
2
|
Q |
21.02 |
| 20.9 | 21.0 | 20.93 | 20.98 |
3
|
T |
60.60 |
| 60.4 | 60.3 | 60.79 | 60.44 |
4
|
Q |
14.49 |
| 14.4 | 14.2 | 14.23 | 14.36 |
|
|
Type: 13C 23
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
Intensity |
| expt-0
| expt-1 Speclib | Prediction 2 acd_lotusv7 | Prediction 3 hose_lotusv7 |
1
|
S |
170.7 |
0.379 |
| 170.6 | 170.98 | 171.79 | 170.77 |
2
|
Q |
20.9 |
0.533 |
| 21.0 | 21.02 | 20.93 | 20.98 |
3
|
T |
60.4 |
0.915 |
| 60.3 | 60.6 | 60.79 | 60.44 |
4
|
Q |
14.4 |
1.0 |
| 14.2 | 14.49 | 14.23 | 14.36 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 dkfz spektren database | expt-1
| expt-2 Speclib | Prediction 3 hose_lotusv7 |
1
|
S |
171.79 |
| 170.7 | 170.6 | 170.98 | 170.77 |
2
|
Q |
20.93 |
| 20.9 | 21.0 | 21.02 | 20.98 |
3
|
T |
60.79 |
| 60.4 | 60.3 | 60.6 | 60.44 |
4
|
Q |
14.23 |
| 14.4 | 14.2 | 14.49 | 14.36 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 dkfz spektren database | expt-1
| expt-2 Speclib | Prediction 3 acd_lotusv7 |
1
|
S |
170.77 |
| 170.7 | 170.6 | 170.98 | 171.79 |
2
|
Q |
20.98 |
| 20.9 | 21.0 | 21.02 | 20.93 |
3
|
T |
60.44 |
| 60.4 | 60.3 | 60.6 | 60.79 |
4
|
Q |
14.36 |
| 14.4 | 14.2 | 14.49 | 14.23 |
|
|
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