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Details
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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 ocmainz inhouse-2 | expt-1 dkfz spektren database | Prediction 2 acd_lotusv7 | Prediction 3 hose_lotusv7 |
1
|
S |
135.8 |
| 135.6 | 135.8 | 137.67 | 135.73 |
2
|
S |
151.6 |
| 151.1 | 151.6 | 151.98 | 151.43 |
3
|
S |
135.8 |
| 135.6 | 135.8 | 137.67 | 135.73 |
4
|
D |
125.4 |
| 125.5 | 125.4 | 125.62 | 125.43 |
5
|
S |
128.2 |
| 128.2 | 128.2 | 128.63 | 128.2 |
6
|
D |
125.4 |
| 125.5 | 125.4 | 125.62 | 125.43 |
7
|
S |
34.2 |
| 34.2 | 34.2 | 34.65 | 34.2 |
8
|
Q |
30.3 |
| 30.4 | 30.3 | 31.07 | 30.33 |
9
|
Q |
30.3 |
| 30.4 | 30.3 | 31.07 | 30.33 |
10
|
Q |
30.3 |
| 30.4 | 30.3 | 31.07 | 30.33 |
11
|
S |
34.2 |
| 34.2 | 34.2 | 34.65 | 34.2 |
12
|
Q |
30.3 |
| 30.4 | 30.3 | 31.07 | 30.33 |
13
|
Q |
30.3 |
| 30.4 | 30.3 | 31.07 | 30.33 |
14
|
Q |
30.3 |
| 30.4 | 30.3 | 31.07 | 30.33 |
15
|
Q |
21.2 |
| 21.2 | 21.2 | 21.24 | 21.2 |
|
Double click upper part to get resizeable window!
|
Type: 1H 300.1 Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| expt-1
| expt-2
| expt-3
| expt-4
|
4-H
|
|
6.92 |
| 6.98 | 6.96 | 6.87 | 7.05 | 6.97 |
6-H
|
|
6.92 |
| 6.98 | 6.96 | 6.87 | 7.05 | 6.97 |
8-H
|
|
1.40 |
| 1.43 | 1.41 | 1.36 | 1.38 | 1.39 |
9-H
|
|
1.40 |
| 1.43 | 1.41 | 1.36 | 1.38 | 1.39 |
10-H
|
|
1.40 |
| 1.43 | 1.41 | 1.36 | 1.38 | 1.39 |
12-H
|
|
1.40 |
| 1.43 | 1.41 | 1.36 | 1.38 | 1.39 |
13-H
|
|
1.40 |
| 1.43 | 1.41 | 1.36 | 1.38 | 1.39 |
14-H
|
|
1.40 |
| 1.43 | 1.41 | 1.36 | 1.38 | 1.39 |
15-H
|
|
2.21 |
| 2.27 | 2.22 | 2.18 | 2.24 | 2.22 |
16-H
|
|
|
| 5.01 | 6.65 | 4.79 | 5.2 |
|
Double click upper part to get resizeable window!
|
Type: 1H 300.1 Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| expt-1
| expt-2
| expt-3
| expt-4
|
4-H
|
|
6.97 |
| 6.98 | 6.96 | 6.87 | 7.05 | 6.92 |
6-H
|
|
6.97 |
| 6.98 | 6.96 | 6.87 | 7.05 | 6.92 |
8-H
|
|
1.39 |
| 1.43 | 1.41 | 1.36 | 1.38 | 1.4 |
9-H
|
|
1.39 |
| 1.43 | 1.41 | 1.36 | 1.38 | 1.4 |
10-H
|
|
1.39 |
| 1.43 | 1.41 | 1.36 | 1.38 | 1.4 |
12-H
|
|
1.39 |
| 1.43 | 1.41 | 1.36 | 1.38 | 1.4 |
13-H
|
|
1.39 |
| 1.43 | 1.41 | 1.36 | 1.38 | 1.4 |
14-H
|
|
1.39 |
| 1.43 | 1.41 | 1.36 | 1.38 | 1.4 |
15-H
|
|
2.22 |
| 2.27 | 2.22 | 2.18 | 2.24 | 2.21 |
16-H
|
|
5.20 |
| 5.01 | 6.65 | 4.79 |
|
Double click upper part to get resizeable window!
|
Type: 1H 300.1 Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| expt-1
| expt-2
| expt-3
| expt-4
|
4-H
|
|
7.05 |
| 6.98 | 6.96 | 6.87 | 6.97 | 6.92 |
6-H
|
|
7.05 |
| 6.98 | 6.96 | 6.87 | 6.97 | 6.92 |
8-H
|
|
1.38 |
| 1.43 | 1.41 | 1.36 | 1.39 | 1.4 |
9-H
|
|
1.38 |
| 1.43 | 1.41 | 1.36 | 1.39 | 1.4 |
10-H
|
|
1.38 |
| 1.43 | 1.41 | 1.36 | 1.39 | 1.4 |
12-H
|
|
1.38 |
| 1.43 | 1.41 | 1.36 | 1.39 | 1.4 |
13-H
|
|
1.38 |
| 1.43 | 1.41 | 1.36 | 1.39 | 1.4 |
14-H
|
|
1.38 |
| 1.43 | 1.41 | 1.36 | 1.39 | 1.4 |
15-H
|
|
2.24 |
| 2.27 | 2.22 | 2.18 | 2.22 | 2.21 |
16-H
|
|
4.79 |
| 5.01 | 6.65 | 5.2 |
|
Double click upper part to get resizeable window!
|
Type: 1H 300.1 Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| expt-1
| expt-2
| expt-3
| expt-4
|
4-H
|
|
6.87 |
| 6.98 | 6.96 | 7.05 | 6.97 | 6.92 |
6-H
|
|
6.87 |
| 6.98 | 6.96 | 7.05 | 6.97 | 6.92 |
8-H
|
|
1.36 |
| 1.43 | 1.41 | 1.38 | 1.39 | 1.4 |
9-H
|
|
1.36 |
| 1.43 | 1.41 | 1.38 | 1.39 | 1.4 |
10-H
|
|
1.36 |
| 1.43 | 1.41 | 1.38 | 1.39 | 1.4 |
12-H
|
|
1.36 |
| 1.43 | 1.41 | 1.38 | 1.39 | 1.4 |
13-H
|
|
1.36 |
| 1.43 | 1.41 | 1.38 | 1.39 | 1.4 |
14-H
|
|
1.36 |
| 1.43 | 1.41 | 1.38 | 1.39 | 1.4 |
15-H
|
|
2.18 |
| 2.27 | 2.22 | 2.24 | 2.22 | 2.21 |
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