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Details
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Type: 13C 100.0
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| Prediction 1 acd_lotusv7 | Prediction 2 hose_lotusv7 |
9
|
D |
136.97 |
| 136.9 | 137.22 | 136.94 |
8
|
D |
117.74 |
| 118.1 | 118.62 | 117.92 |
4
|
S |
140.01 |
| 140.2 | 140.34 | 140.1 |
3
|
D |
136.51 |
| 136.4 | 136.6 | 136.46 |
2
|
D |
122.69 |
| 122.6 | 122.8 | 122.64 |
1
|
D |
137.22 |
| 136.9 | 137.13 | 137.06 |
|
Show spectrum in full size
|
Type: H,H-COSY 400.1300048828125
|
|
Axis: 1 (H) |
Axis: 2 (H) |
Atom |
Shift |
Atom |
Shift |
|
1
|
7.51 |
3
|
8.28 |
8
|
7.33 |
9
|
7.84 |
2
|
7.09 |
3
|
8.28 |
2
|
7.09 |
1
|
7.51 |
|
Show spectrum in full size
|
Type: H,C-HSQC 400.1300048828125
|
|
Axis: 1 (H) |
Axis: 2 (C) |
Atom |
Shift |
Shift |
|
3
|
8.28 |
136.51 |
9
|
7.84 |
136.97 |
1
|
7.51 |
137.22 |
8
|
7.33 |
117.74 |
2
|
7.09 |
122.69 |
|
Show spectrum in full size
|
Type: H,C-HMBC 400.1300048828125
|
|
Axis: 1 (H) |
Axis: 2 (C) |
Atom |
Shift |
Atom |
Shift |
|
3
|
8.28 |
8
|
117.74 |
3
|
8.28 |
4
|
140.01 |
3
|
8.28 |
1
|
137.22 |
9
|
7.84 |
8
|
117.74 |
9
|
7.84 |
4
|
140.01 |
1
|
7.51 |
3
|
136.51 |
8
|
7.33 |
4
|
140.01 |
8
|
7.33 |
3
|
136.51 |
2
|
7.09 |
4
|
140.01 |
2
|
7.09 |
2
|
122.69 |
|
Show spectrum in full size
|
Report incorrect data
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DOI for this dataset: 10.18716/nmrshiftdb2/10016513/rub_cdcl3
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