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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 ocmainz inhouse-2 | expt-2 sdbs | Prediction 3 acd_lotusv7 | Prediction 4 hose_lotusv7 |
1
|
S |
136.4 |
| 136.2 | 136.3 | 136.42 | 136.3 | 136.31 |
2
|
S |
136.4 |
| 136.2 | 136.3 | 136.3 | 136.31 |
3
|
D |
129.9 |
| 129.7 | 129.5 | 129.6 | 129.7 |
4
|
D |
126.1 |
| 125.9 | 125.8 | 125.67 | 125.94 |
5
|
D |
126.1 |
| 125.9 | 125.8 | 125.85 | 125.67 | 125.94 |
6
|
D |
129.9 |
| 129.7 | 129.5 | 129.63 | 129.6 | 129.7 |
7
|
Q |
19.6 |
| 19.6 | 19.6 | 19.66 | 19.4 | 19.6 |
8
|
Q |
19.6 |
| 19.6 | 19.6 | 19.4 | 19.6 |
|
|
Type: 13C Unreported
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0 dkfz spektren database | expt-1
| expt-2 sdbs | Prediction 3 acd_lotusv7 | Prediction 4 hose_lotusv7 |
1
|
S |
136.3 |
| 136.2 | 136.4 | 136.42 | 136.3 | 136.31 |
2
|
S |
136.3 |
| 136.2 | 136.4 | 136.3 | 136.31 |
3
|
D |
129.5 |
| 129.7 | 129.9 | 129.6 | 129.7 |
4
|
D |
125.8 |
| 125.9 | 126.1 | 125.67 | 125.94 |
5
|
D |
125.8 |
| 125.9 | 126.1 | 125.85 | 125.67 | 125.94 |
6
|
D |
129.5 |
| 129.7 | 129.9 | 129.63 | 129.6 | 129.7 |
7
|
Q |
19.6 |
| 19.6 | 19.6 | 19.66 | 19.4 | 19.6 |
8
|
Q |
19.6 |
| 19.6 | 19.6 | 19.4 | 19.6 |
|
|
Type: 13C 23
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
Intensity |
| expt-0
| expt-1 ocmainz inhouse-2 | expt-2 sdbs | Prediction 3 acd_lotusv7 | Prediction 4 hose_lotusv7 |
1
|
S |
136.2 |
0.252 |
| 136.4 | 136.3 | 136.42 | 136.3 | 136.31 |
2
|
S |
136.2 |
0.252 |
| 136.4 | 136.3 | 136.3 | 136.31 |
3
|
D |
129.7 |
0.693 |
| 129.9 | 129.5 | 129.6 | 129.7 |
4
|
D |
125.9 |
1.0 |
| 126.1 | 125.8 | 125.67 | 125.94 |
5
|
D |
125.9 |
1.0 |
| 126.1 | 125.8 | 125.85 | 125.67 | 125.94 |
6
|
D |
129.7 |
0.693 |
| 129.9 | 129.5 | 129.63 | 129.6 | 129.7 |
7
|
Q |
19.6 |
0.673 |
| 19.6 | 19.6 | 19.66 | 19.4 | 19.6 |
8
|
Q |
19.6 |
0.673 |
| 19.6 | 19.6 | 19.4 | 19.6 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 dkfz spektren database | expt-1
| expt-2 ocmainz inhouse-2 | expt-3 sdbs | Prediction 4 hose_lotusv7 |
1
|
S |
136.30 |
| 136.2 | 136.4 | 136.3 | 136.42 | 136.31 |
2
|
S |
136.30 |
| 136.2 | 136.4 | 136.3 | 136.31 |
3
|
D |
129.60 |
| 129.7 | 129.9 | 129.5 | 129.7 |
4
|
D |
125.67 |
| 125.9 | 126.1 | 125.8 | 125.94 |
5
|
D |
125.67 |
| 125.9 | 126.1 | 125.8 | 125.85 | 125.94 |
6
|
D |
129.60 |
| 129.7 | 129.9 | 129.5 | 129.63 | 129.7 |
7
|
Q |
19.40 |
| 19.6 | 19.6 | 19.6 | 19.66 | 19.6 |
8
|
Q |
19.40 |
| 19.6 | 19.6 | 19.6 | 19.6 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 dkfz spektren database | expt-1
| expt-2 ocmainz inhouse-2 | expt-3 sdbs | Prediction 4 acd_lotusv7 |
1
|
S |
136.31 |
| 136.2 | 136.4 | 136.3 | 136.42 | 136.3 |
2
|
S |
136.31 |
| 136.2 | 136.4 | 136.3 | 136.3 |
3
|
D |
129.70 |
| 129.7 | 129.9 | 129.5 | 129.6 |
4
|
D |
125.94 |
| 125.9 | 126.1 | 125.8 | 125.67 |
5
|
D |
125.94 |
| 125.9 | 126.1 | 125.8 | 125.85 | 125.67 |
6
|
D |
129.70 |
| 129.7 | 129.9 | 129.5 | 129.63 | 129.6 |
7
|
Q |
19.60 |
| 19.6 | 19.6 | 19.6 | 19.66 | 19.4 |
8
|
Q |
19.60 |
| 19.6 | 19.6 | 19.6 | 19.4 |
|
|
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