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Details
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Type: 13C
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|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 sdbs | Prediction 1 hose_lotusv7 |
2
|
S |
173.93 |
| 154.68 |
4
|
D |
152.08 |
| 150.95 |
6
|
D |
88.02 |
| 89.67 |
8
|
D |
85.80 |
| 84.9 |
9
|
T |
60.89 |
| 60.8 |
11
|
D |
71.11 |
| 68.96 | 70.48 |
13
|
D |
73.49 |
| 89.29 | 72.61 |
15
|
S |
156.91 |
| 156.24 | 156.93 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 sdbs | Prediction 1 acd_lotusv7 |
2
|
S |
154.68 |
| 173.93 |
4
|
D |
150.95 |
| 152.08 |
6
|
D |
89.67 |
| 88.02 |
8
|
D |
84.90 |
| 85.8 |
9
|
T |
60.80 |
| 60.89 |
11
|
D |
70.48 |
| 68.96 | 71.11 |
13
|
D |
72.61 |
| 89.29 | 73.49 |
15
|
S |
156.93 |
| 156.24 | 156.91 |
|
|
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