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Details
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Type: 13C Unreported
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0 dkfz spektren database | Prediction 1 acd_lotusv7 | Prediction 2 hose_lotusv7 |
1
|
S |
131.7 |
| 131.9 | 131.63 | 131.79 |
2
|
S |
152.5 |
| 152.5 | 152.21 | 152.5 |
3
|
D |
116.3 |
| 116.4 | 116.21 | 116.34 |
4
|
S |
136.6 |
| 136.5 | 136.59 | 136.56 |
5
|
D |
121.9 |
| 122.0 | 121.83 | 121.94 |
6
|
D |
126.3 |
| 126.3 | 126.28 | 126.3 |
7
|
Q |
20.8 |
| 20.8 | 20.8 | 20.8 |
8
|
D |
26.7 |
| 26.7 | 26.71 | 26.7 |
9
|
Q |
22.7 |
| 22.7 | 22.68 | 22.7 |
10
|
Q |
22.7 |
| 22.7 | 22.68 | 22.7 |
|
|
Type: 13C Unreported
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
Intensity |
| expt-0 ocmainz inhouse-2 | Prediction 1 acd_lotusv7 | Prediction 2 hose_lotusv7 |
1
|
S |
131.9 |
0.333 |
| 131.7 | 131.63 | 131.79 |
2
|
S |
152.5 |
0.476 |
| 152.5 | 152.21 | 152.5 |
3
|
D |
116.4 |
0.423 |
| 116.3 | 116.21 | 116.34 |
4
|
S |
136.5 |
0.311 |
| 136.6 | 136.59 | 136.56 |
5
|
D |
122.0 |
0.357 |
| 121.9 | 121.83 | 121.94 |
6
|
D |
126.3 |
0.476 |
| 126.3 | 126.28 | 126.3 |
7
|
Q |
20.8 |
0.301 |
| 20.8 | 20.8 | 20.8 |
8
|
D |
26.7 |
0.567 |
| 26.7 | 26.71 | 26.7 |
9
|
Q |
22.7 |
1.0 |
| 22.7 | 22.68 | 22.7 |
10
|
Q |
22.7 |
1.0 |
| 22.7 | 22.68 | 22.7 |
|
|
13C Spectrum | 60020735
Rating: 10 |
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 dkfz spektren database | expt-1 ocmainz inhouse-2 | Prediction 2 acd_lotusv7 |
1
|
S |
131.79 |
| 131.9 | 131.7 | 131.63 |
2
|
S |
152.50 |
| 152.5 | 152.5 | 152.21 |
3
|
D |
116.34 |
| 116.4 | 116.3 | 116.21 |
4
|
S |
136.56 |
| 136.5 | 136.6 | 136.59 |
5
|
D |
121.94 |
| 122.0 | 121.9 | 121.83 |
6
|
D |
126.30 |
| 126.3 | 126.3 | 126.28 |
7
|
Q |
20.80 |
| 20.8 | 20.8 | 20.8 |
8
|
D |
26.70 |
| 26.7 | 26.7 | 26.71 |
9
|
Q |
22.70 |
| 22.7 | 22.7 | 22.68 |
10
|
Q |
22.70 |
| 22.7 | 22.7 | 22.68 |
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