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Details
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Type: 13C Unreported
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0 ocmainz inhouse-2 | expt-1 sdbs | Prediction 2 acd_lotusv7 | Prediction 3 hose_lotusv7 |
1
|
S |
130.65 |
| 130.1 | 130.71 | 130.47 | 130.38 |
2
|
D |
124.53 |
| 124.2 | 124.67 | 125.0 | 124.36 |
3
|
D |
110.21 |
| 110.9 | 110.36 | 110.81 | 110.56 |
4
|
S |
151.83 |
| 153.2 | 152.05 | 153.02 | 152.51 |
5
|
S |
146.15 |
| 147.1 | 146.32 | 146.68 | 146.62 |
6
|
D |
114.09 |
| 114.1 | 114.17 | 114.16 | 114.09 |
7
|
D |
191.02 |
| 190.7 | 191.13 | 190.46 | 190.86 |
8
|
Q |
56.16 |
| 55.8 | 56.24 | 56.01 | 55.55 |
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|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 ocmainz inhouse database | expt-1 ocmainz inhouse-2 | expt-2 sdbs | Prediction 3 hose_lotusv7 |
1
|
S |
130.47 |
| 130.65 | 130.1 | 130.71 | 130.38 |
2
|
D |
125.00 |
| 124.53 | 124.2 | 124.67 | 124.36 |
3
|
D |
110.81 |
| 110.21 | 110.9 | 110.36 | 110.56 |
4
|
S |
153.02 |
| 151.83 | 153.2 | 152.05 | 152.51 |
5
|
S |
146.68 |
| 146.15 | 147.1 | 146.32 | 146.62 |
6
|
D |
114.16 |
| 114.09 | 114.1 | 114.17 | 114.09 |
7
|
D |
190.46 |
| 191.02 | 190.7 | 191.13 | 190.86 |
8
|
Q |
56.01 |
| 56.16 | 55.8 | 56.24 | 55.55 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 ocmainz inhouse database | expt-1 ocmainz inhouse-2 | expt-2 sdbs | Prediction 3 acd_lotusv7 |
1
|
S |
130.38 |
| 130.65 | 130.1 | 130.71 | 130.47 |
2
|
D |
124.36 |
| 124.53 | 124.2 | 124.67 | 125.0 |
3
|
D |
110.56 |
| 110.21 | 110.9 | 110.36 | 110.81 |
4
|
S |
152.51 |
| 151.83 | 153.2 | 152.05 | 153.02 |
5
|
S |
146.62 |
| 146.15 | 147.1 | 146.32 | 146.68 |
6
|
D |
114.09 |
| 114.09 | 114.1 | 114.17 | 114.16 |
7
|
D |
190.86 |
| 191.02 | 190.7 | 191.13 | 190.46 |
8
|
Q |
55.55 |
| 56.16 | 55.8 | 56.24 | 56.01 |
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