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Details
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Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 ocmainz inhouse-2 | Prediction 1 hose_lotusv7 |
1
|
D |
120.00 |
| 120.9 | 120.9 |
2
|
D |
117.90 |
| 117.9 | 117.9 |
3
|
D |
122.50 |
| 122.5 | 120.24 |
4
|
D |
111.20 |
| 111.2 | 111.2 |
5
|
S |
136.30 |
| 136.3 | 136.3 |
6
|
S |
125.90 |
| 125.9 | 125.9 |
7
|
D |
123.10 |
| 123.1 | 123.1 |
8
|
S |
103.90 |
| 103.9 | 103.9 |
9
|
T |
14.72 |
| 14.7 |
10
|
S |
118.50 |
| 118.5 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 ocmainz inhouse-2 | Prediction 1 acd_lotusv7 |
1
|
D |
120.90 |
| 120.9 | 120.0 |
2
|
D |
117.90 |
| 117.9 | 117.9 |
3
|
D |
120.24 |
| 122.5 | 122.5 |
4
|
D |
111.20 |
| 111.2 | 111.2 |
5
|
S |
136.30 |
| 136.3 | 136.3 |
6
|
S |
125.90 |
| 125.9 | 125.9 |
7
|
D |
123.10 |
| 123.1 | 123.1 |
8
|
S |
103.90 |
| 103.9 | 103.9 |
9
|
T |
14.70 |
| 14.72 |
10
|
S |
118.50 |
| 118.5 |
|
|
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