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Details
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Type: 13C
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|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 ocmainz inhouse-2 | Prediction 1 hose_lotusv7 |
1
|
S |
172.80 |
| 173.1 | 173.1 |
2
|
D |
113.25 |
| 113.2 | 113.2 |
3
|
D |
154.45 |
| 154.0 | 154.0 |
4
|
S |
153.90 |
| 149.4 | 149.4 |
5
|
S |
142.60 |
| 143.2 | 143.2 |
6
|
Q |
14.20 |
| 14.2 | 14.2 |
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|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 ocmainz inhouse-2 | Prediction 1 acd_lotusv7 |
1
|
S |
173.1 |
| 173.1 | 172.8 |
2
|
D |
113.2 |
| 113.2 | 113.25 |
3
|
D |
154.0 |
| 154.0 | 154.45 |
4
|
S |
149.4 |
| 149.4 | 153.9 |
5
|
S |
143.2 |
| 143.2 | 142.6 |
6
|
Q |
14.2 |
| 14.2 | 14.2 |
|
|
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