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Details
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Type: 13C Unreported
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| Prediction 0 acd_lotusv7 | Prediction 1 hose_lotusv7 |
1
|
T |
66.9 |
| 65.75 | 66.9 |
3
|
T |
66.9 |
| 65.75 | 66.9 |
4
|
Q |
16.4 |
| 15.56 | 16.4 |
5
|
Q |
16.4 |
| 15.56 | 16.4 |
|
|
1H Spectrum | 30125064
Rating: 10 |
Type: 1H 300.1
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| expt-1
| expt-2
| expt-3
| expt-4
| expt-5
| expt-6
|
1-H
|
|
3.56 |
| 3.48 | 3.41 | 3.38 | 3.26 | 3.42 | 3.49 | 3.38 |
3-H
|
|
3.56 |
| 3.48 | 3.41 | 3.38 | 3.26 | 3.42 | 3.49 | 3.38 |
4-H
|
|
1.17 |
| 1.21 | 1.11 | 1.09 | 1.11 | 1.12 | 1.18 | 1.13 |
5-H
|
|
1.17 |
| 1.21 | 1.11 | 1.09 | 1.11 | 1.12 | 1.18 | 1.13 |
|
|
Type: 1H 300.1
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| expt-1
| expt-2
| expt-3
| expt-4
| expt-5
| expt-6
|
1-H
|
|
3.49 |
| 3.48 | 3.41 | 3.38 | 3.26 | 3.42 | 3.56 | 3.38 |
3-H
|
|
3.49 |
| 3.48 | 3.41 | 3.38 | 3.26 | 3.42 | 3.56 | 3.38 |
4-H
|
|
1.18 |
| 1.21 | 1.11 | 1.09 | 1.11 | 1.12 | 1.17 | 1.13 |
5-H
|
|
1.18 |
| 1.21 | 1.11 | 1.09 | 1.11 | 1.12 | 1.17 | 1.13 |
|
|
Type: 1H 300.1
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| expt-1
| expt-2
| expt-3
| expt-4
| expt-5
| expt-6
|
1-H
|
|
3.42 |
| 3.48 | 3.41 | 3.38 | 3.26 | 3.49 | 3.56 | 3.38 |
3-H
|
|
3.42 |
| 3.48 | 3.41 | 3.38 | 3.26 | 3.49 | 3.56 | 3.38 |
4-H
|
|
1.12 |
| 1.21 | 1.11 | 1.09 | 1.11 | 1.18 | 1.17 | 1.13 |
5-H
|
|
1.12 |
| 1.21 | 1.11 | 1.09 | 1.11 | 1.18 | 1.17 | 1.13 |
|
|
Type: 1H 300.1
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| expt-1
| expt-2
| expt-3
| expt-4
| expt-5
| expt-6
|
1-H
|
|
3.26 |
| 3.48 | 3.41 | 3.38 | 3.42 | 3.49 | 3.56 | 3.38 |
3-H
|
|
3.26 |
| 3.48 | 3.41 | 3.38 | 3.42 | 3.49 | 3.56 | 3.38 |
4-H
|
|
1.11 |
| 1.21 | 1.11 | 1.09 | 1.12 | 1.18 | 1.17 | 1.13 |
5-H
|
|
1.11 |
| 1.21 | 1.11 | 1.09 | 1.12 | 1.18 | 1.17 | 1.13 |
|
|
Type: 1H 300.1
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| expt-1
| expt-2
| expt-3
| expt-4
| expt-5
| expt-6
|
1-H
|
|
3.38 |
| 3.48 | 3.41 | 3.26 | 3.42 | 3.49 | 3.56 | 3.38 |
3-H
|
|
3.38 |
| 3.48 | 3.41 | 3.26 | 3.42 | 3.49 | 3.56 | 3.38 |
4-H
|
|
1.09 |
| 1.21 | 1.11 | 1.11 | 1.12 | 1.18 | 1.17 | 1.13 |
5-H
|
|
1.09 |
| 1.21 | 1.11 | 1.11 | 1.12 | 1.18 | 1.17 | 1.13 |
|
|
Type: 1H 300.1
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| expt-1
| expt-2
| expt-3
| expt-4
| expt-5
| expt-6
|
1-H
|
|
3.41 |
| 3.48 | 3.38 | 3.26 | 3.42 | 3.49 | 3.56 | 3.38 |
3-H
|
|
3.41 |
| 3.48 | 3.38 | 3.26 | 3.42 | 3.49 | 3.56 | 3.38 |
4-H
|
|
1.11 |
| 1.21 | 1.09 | 1.11 | 1.12 | 1.18 | 1.17 | 1.13 |
5-H
|
|
1.11 |
| 1.21 | 1.09 | 1.11 | 1.12 | 1.18 | 1.17 | 1.13 |
|
|
Type: 1H 300.1
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| expt-1
| expt-2
| expt-3
| expt-4
| expt-5
| expt-6
|
1-H
|
|
3.48 |
| 3.41 | 3.38 | 3.26 | 3.42 | 3.49 | 3.56 | 3.38 |
3-H
|
|
3.48 |
| 3.41 | 3.38 | 3.26 | 3.42 | 3.49 | 3.56 | 3.38 |
4-H
|
|
1.21 |
| 1.11 | 1.09 | 1.11 | 1.12 | 1.18 | 1.17 | 1.13 |
5-H
|
|
1.21 |
| 1.11 | 1.09 | 1.11 | 1.12 | 1.18 | 1.17 | 1.13 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0
| Prediction 1 hose_lotusv7 |
1
|
T |
65.75 |
| 66.9 | 66.9 |
3
|
T |
65.75 |
| 66.9 | 66.9 |
4
|
Q |
15.56 |
| 16.4 | 16.4 |
5
|
Q |
15.56 |
| 16.4 | 16.4 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0
| Prediction 1 acd_lotusv7 |
1
|
T |
66.9 |
| 66.9 | 65.75 |
3
|
T |
66.9 |
| 66.9 | 65.75 |
4
|
Q |
16.4 |
| 16.4 | 15.56 |
5
|
Q |
16.4 |
| 16.4 | 15.56 |
|
|
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