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Details
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Type: 13C Unreported
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| calc-0 spartan | Prediction 1 acd_lotusv7 | Prediction 2 hose_lotusv7 |
1
|
S |
139.2 |
| 146.597 | 139.2 | 139.2 |
2
|
S |
115.0 |
| 115.039 | 115.0 | 115.0 |
3
|
S |
141.4 |
| 147.954 | 141.4 | 141.4 |
4
|
S |
132.5 |
| 133.611 | 132.5 | 132.5 |
5
|
S |
141.4 |
| 147.954 | 141.4 | 141.4 |
6
|
S |
115.0 |
| 115.039 | 115.0 | 115.0 |
7
|
S |
112.3 |
| 100.225 | 112.3 | 112.3 |
8
|
S |
112.3 |
| 100.225 | 112.3 | 112.3 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 ocmainz inhouse-2 | calc-1 spartan | Prediction 2 hose_lotusv7 |
1
|
S |
139.2 |
| 139.2 | 146.597 | 139.2 |
2
|
S |
115.0 |
| 115.0 | 115.039 | 115.0 |
3
|
S |
141.4 |
| 141.4 | 147.954 | 141.4 |
4
|
S |
132.5 |
| 132.5 | 133.611 | 132.5 |
5
|
S |
141.4 |
| 141.4 | 147.954 | 141.4 |
6
|
S |
115.0 |
| 115.0 | 115.039 | 115.0 |
7
|
S |
112.3 |
| 112.3 | 100.225 | 112.3 |
8
|
S |
112.3 |
| 112.3 | 100.225 | 112.3 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 ocmainz inhouse-2 | calc-1 spartan | Prediction 2 acd_lotusv7 |
1
|
S |
139.2 |
| 139.2 | 146.597 | 139.2 |
2
|
S |
115.0 |
| 115.0 | 115.039 | 115.0 |
3
|
S |
141.4 |
| 141.4 | 147.954 | 141.4 |
4
|
S |
132.5 |
| 132.5 | 133.611 | 132.5 |
5
|
S |
141.4 |
| 141.4 | 147.954 | 141.4 |
6
|
S |
115.0 |
| 115.0 | 115.039 | 115.0 |
7
|
S |
112.3 |
| 112.3 | 100.225 | 112.3 |
8
|
S |
112.3 |
| 112.3 | 100.225 | 112.3 |
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|
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