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Type: 13C Unreported Double click to get resizeable window!
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|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| expt-1 chemie koeln;Classics in Spectroscopy;NMReDATA | expt-2
| Prediction 3 acd_lotusv7 | Prediction 4 hose_lotusv7 |
1
|
S |
155.32 |
| 155.3 | 155.08 | 154.4 | 155.72 | 154.85 |
3
|
S |
148.67 |
| 151.6 | 151.58 | 151.1 | 151.88 | 151.35 |
5
|
S |
151.66 |
| 147.5 | 148.65 | 148.1 | 149.01 | 147.8 |
6
|
S |
107.51 |
| 107.8 | 107.13 | 106.6 | 107.89 | 107.2 |
8
|
D |
141.57 |
| 144.3 | 143.26 | 142.8 | 142.69 | 143.55 |
10
|
Q |
29.70 |
| 27.8 | 27.87 | 29.4 | 27.67 | 28.6 |
11
|
Q |
27.88 |
| 29.6 | 30.14 | 27.5 | 29.47 | 28.55 |
12
|
Q |
33.57 |
| 33.5 | 33.59 | 33.1 | 33.82 | 33.3 |
|
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Type: 1H Unreported Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0 chemie koeln;Classics in Spectroscopy;NMReDATA | expt-1
|
8-H
|
|
7.527 |
| 7.99 | 8.0 |
10-H
|
|
3.574 |
| 3.2 | 3.4 |
11-H
|
|
3.395 |
| 3.39 | 3.21 |
12-H
|
|
3.999 |
| 3.87 | 3.87 |
|
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DOI for this dataset: 10.18716/nmrshiftdb2/10016316/sdbs_cdcl3
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