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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 | expt-2 Chemikalienlager Uni Mainz | Prediction 3 acd_lotusv7 | Prediction 4 hose_lotusv7 |
1
|
S |
219.6 |
| 219.1 | 219.64 | 220.767 | 218.84 | 219.48 |
2
|
T |
37.9 |
| 38.2 | 38.03 | 38.3442 | 37.81 | 38.03 |
3
|
T |
22.7 |
| 23.4 | 23.13 | 23.2125 | 22.82 | 23.05 |
4
|
T |
22.7 |
| 23.4 | 23.13 | 23.2125 | 22.82 | 23.05 |
5
|
T |
37.9 |
| 38.2 | 38.03 | 38.3442 | 37.81 | 38.03 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0 dkfz spektren database | expt-1
| expt-2 Chemikalienlager Uni Mainz | Prediction 3 acd_lotusv7 | Prediction 4 hose_lotusv7 |
1
|
S |
219.64 |
| 219.1 | 219.6 | 220.767 | 218.84 | 219.48 |
2
|
T |
38.03 |
| 38.2 | 37.9 | 38.3442 | 37.81 | 38.03 |
3
|
T |
23.13 |
| 23.4 | 22.7 | 23.2125 | 22.82 | 23.05 |
4
|
T |
23.13 |
| 23.4 | 22.7 | 23.2125 | 22.82 | 23.05 |
5
|
T |
38.03 |
| 38.2 | 37.9 | 38.3442 | 37.81 | 38.03 |
|
|
Type: 13C 23
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
Intensity |
| expt-0
| expt-1 Speclib | expt-2 Chemikalienlager Uni Mainz | Prediction 3 acd_lotusv7 | Prediction 4 hose_lotusv7 |
1
|
S |
219.1 |
0.239 |
| 219.6 | 219.64 | 220.767 | 218.84 | 219.48 |
2
|
T |
38.2 |
1.0 |
| 37.9 | 38.03 | 38.3442 | 37.81 | 38.03 |
3
|
T |
23.4 |
0.811 |
| 22.7 | 23.13 | 23.2125 | 22.82 | 23.05 |
4
|
T |
23.4 |
0.811 |
| 22.7 | 23.13 | 23.2125 | 22.82 | 23.05 |
5
|
T |
38.2 |
1.0 |
| 37.9 | 38.03 | 38.3442 | 37.81 | 38.03 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 dkfz spektren database | expt-1
| expt-2 Speclib | expt-3 Chemikalienlager Uni Mainz | Prediction 4 hose_lotusv7 |
1
|
S |
218.84 |
| 219.1 | 219.6 | 219.64 | 220.767 | 219.48 |
2
|
T |
37.81 |
| 38.2 | 37.9 | 38.03 | 38.3442 | 38.03 |
3
|
T |
22.82 |
| 23.4 | 22.7 | 23.13 | 23.2125 | 23.05 |
4
|
T |
22.82 |
| 23.4 | 22.7 | 23.13 | 23.2125 | 23.05 |
5
|
T |
37.81 |
| 38.2 | 37.9 | 38.03 | 38.3442 | 38.03 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 dkfz spektren database | expt-1
| expt-2 Speclib | expt-3 Chemikalienlager Uni Mainz | Prediction 4 acd_lotusv7 |
1
|
S |
219.48 |
| 219.1 | 219.6 | 219.64 | 220.767 | 218.84 |
2
|
T |
38.03 |
| 38.2 | 37.9 | 38.03 | 38.3442 | 37.81 |
3
|
T |
23.05 |
| 23.4 | 22.7 | 23.13 | 23.2125 | 22.82 |
4
|
T |
23.05 |
| 23.4 | 22.7 | 23.13 | 23.2125 | 22.82 |
5
|
T |
38.03 |
| 38.2 | 37.9 | 38.03 | 38.3442 | 37.81 |
|
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