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Details
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This molecule with some stereoconfiguration:
Type: 13C Unreported
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0 dkfz spektren database | Prediction 1 acd_lotusv7 | Prediction 2 hose_lotusv7 |
1
|
D |
31.9 |
| 31.7 | 30.09 | 31.81 |
2
|
T |
45.6 |
| 45.1 | 43.0 | 45.39 |
3
|
D |
70.9 |
| 71.3 | 70.03 | 71.07 |
4
|
D |
50.4 |
| 50.1 | 49.29 | 50.27 |
5
|
T |
23.5 |
| 23.2 | 22.67 | 23.37 |
6
|
T |
35.0 |
| 34.6 | 33.3 | 34.83 |
7
|
Q |
22.3 |
| 22.2 | 21.46 | 22.26 |
8
|
D |
25.8 |
| 25.7 | 26.27 | 25.76 |
9
|
Q |
21.0 |
| 16.1 | 20.99 | 18.54 |
10
|
Q |
16.0 |
| 21.1 | 17.96 | 18.54 |
|
|
1H Spectrum | 20000700
Rating: 10 |
Type | 1H |
Measurement conditions
|
Temperature [K] | Unreported |
Solvent | Chloroform-D1 (CDCl3) |
Field Strength [MHz] | 500 |
Assignment Method | Multiplicity edited HSQC |
Literature |
|
Additional comments | |
Additional information |
|
Spectrum categories | |
Type: 13C Unreported
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
Intensity |
| expt-0
| Prediction 1 acd_lotusv7 | Prediction 2 hose_lotusv7 |
1
|
D |
31.7 |
0.941 |
| 31.9 | 30.09 | 31.81 |
2
|
T |
45.1 |
0.865 |
| 45.6 | 43.0 | 45.39 |
3
|
D |
71.3 |
0.852 |
| 70.9 | 70.03 | 71.07 |
4
|
D |
50.1 |
0.817 |
| 50.4 | 49.29 | 50.27 |
5
|
T |
23.2 |
0.686 |
| 23.5 | 22.67 | 23.37 |
6
|
T |
34.6 |
0.867 |
| 35.0 | 33.3 | 34.83 |
7
|
Q |
22.2 |
0.937 |
| 22.3 | 21.46 | 22.26 |
8
|
D |
25.7 |
0.825 |
| 25.8 | 26.27 | 25.76 |
9
|
Q |
16.1 |
0.948 |
| 21.0 | 20.99 | 18.54 |
10
|
Q |
21.1 |
1.0 |
| 16.0 | 17.96 | 18.54 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 dkfz spektren database | expt-1
| Prediction 2 hose_lotusv7 |
1
|
D |
30.09 |
| 31.7 | 31.9 | 31.81 |
2
|
T |
43.00 |
| 45.1 | 45.6 | 45.39 |
3
|
D |
70.03 |
| 71.3 | 70.9 | 71.07 |
4
|
D |
49.29 |
| 50.1 | 50.4 | 50.27 |
5
|
T |
22.67 |
| 23.2 | 23.5 | 23.37 |
6
|
T |
33.30 |
| 34.6 | 35.0 | 34.83 |
7
|
Q |
21.46 |
| 22.2 | 22.3 | 22.26 |
8
|
D |
26.27 |
| 25.7 | 25.8 | 25.76 |
9
|
Q |
20.99 |
| 16.1 | 21.0 | 18.54 |
10
|
Q |
17.96 |
| 21.1 | 16.0 | 18.54 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 dkfz spektren database | expt-1
| Prediction 2 acd_lotusv7 |
1
|
D |
31.81 |
| 31.7 | 31.9 | 30.09 |
2
|
T |
45.39 |
| 45.1 | 45.6 | 43.0 |
3
|
D |
71.07 |
| 71.3 | 70.9 | 70.03 |
4
|
D |
50.27 |
| 50.1 | 50.4 | 49.29 |
5
|
T |
23.37 |
| 23.2 | 23.5 | 22.67 |
6
|
T |
34.83 |
| 34.6 | 35.0 | 33.3 |
7
|
Q |
22.26 |
| 22.2 | 22.3 | 21.46 |
8
|
D |
25.76 |
| 25.7 | 25.8 | 26.27 |
9
|
Q |
18.54 |
| 16.1 | 21.0 | 20.99 |
10
|
Q |
18.54 |
| 21.1 | 16.0 | 17.96 |
|
|
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