|
Search Results
|
|
|
|
You did not do a search!
|
|
|
|
|
|
|
|
Bookmarks
|
|
|
|
You could bookmark structures if you were logged in!
|
|
|
|
|
|
|
Details
|
|
|
|
This molecule without stereoconfiguration:
General
|
|
ChiuZ/Chloroform-D1 (CDCl3)
|
|
|
Type: 13C 150 Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| Prediction 0
| expt-1 ocmainz inhouse-2 | Prediction 2 acd_lotusv7 | Prediction 3 hose_lotusv7 |
1
|
S |
175.9 |
| 178.2 | 175.9 | 175.53 | 175.9 |
3
|
S |
175.9 |
| 178.2 | 175.9 | 175.53 | 175.9 |
3a
|
S |
55.3 |
| 55.0 | 55.3 | 56.38 | 55.3 |
4
|
D |
84.8 |
| 83.7 | 84.8 | 84.7 | 84.8 |
5
|
T |
23.4 |
| 22.6 | 23.4 | 24.57 | 23.4 |
6
|
T |
23.4 |
| 22.6 | 23.4 | 24.57 | 23.4 |
7
|
D |
84.8 |
| 83.7 | 84.8 | 84.7 | 84.8 |
7a
|
S |
55.3 |
| 55.0 | 55.3 | 56.38 | 55.3 |
9
|
Q |
12.7 |
| 15.5 | 12.7 | 19.36 | 12.7 |
10
|
Q |
12.7 |
| 17.9 | 12.7 | 19.36 | 12.7 |
|
Show spectrum in full size
|
|
Type: 1H 600.0 Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
4-H
|
|
4.725 |
5-H
|
|
1.805, 1.755 |
6-H
|
|
1.805, 1.755 |
7-H
|
|
4.725 |
9-H
|
|
1.243 |
10-H
|
|
1.243 |
|
Show spectrum in full size
|
|
Type: H,H-COSY 600.0 Double click to get resizeable window!
|
|
Axis: 1 (H) |
Axis: 2 (H) |
Atom |
Shift |
Atom |
Shift |
|
5
|
1.75 |
4
|
4.72 |
|
Show spectrum in full size
|
Type: H,C-HMBC 600.0 Double click to get resizeable window!
|
|
Axis: 1 (H) |
Axis: 2 (C) |
Atom |
Shift |
Atom |
Shift |
|
10
|
1.24 |
7
|
175.9 |
10
|
1.24 |
4
|
84.8 |
10
|
1.24 |
3
|
55.3 |
5
|
1.8 |
4
|
84.8 |
4
|
4.72 |
7
|
175.9 |
4
|
4.72 |
3
|
55.3 |
4
|
4.72 |
5
|
23.4 |
4
|
4.72 |
10
|
12.7 |
|
Show spectrum in full size
|
Type: H,H-NOESY 600.0 Double click to get resizeable window!
|
|
Axis: 1 (H) |
Axis: 2 (H) |
Atom |
Shift |
Atom |
Shift |
|
10
|
1.24 |
5
|
1.8 |
5
|
1.8 |
4
|
4.72 |
|
Show spectrum in full size
|
Type: H,C-ed. HSQC 600.0 Double click to get resizeable window!
|
|
Axis: 1 (H) |
Axis: 2 (C) |
Atom |
Shift |
Atom |
Shift |
|
10
|
1.24 |
10
|
12.7 |
5
|
1.75 |
5
|
23.4 |
5
|
1.8 |
5
|
23.4 |
4
|
4.72 |
4
|
84.8 |
|
Show spectrum in full size
|
Report incorrect data
Copy dataset link
DOI for this dataset: 10.18716/nmrshiftdb2/20236671/chiuz_cdcl3
Copy molecule link
|
|
|
|
|
|
|
|