|
Search Results
|
|
|
|
You did not do a search!
|
|
|
|
|
|
|
|
Bookmarks
|
|
|
|
You could bookmark structures if you were logged in!
|
|
|
|
|
|
|
Details
|
|
|
|
Type: 13C Unreported
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0 Speclib | Prediction 1 acd_lotusv7 | Prediction 2 hose_lotusv7 |
1
|
Q |
32.7 |
| 31.31 | 30.86 | 32.01 |
2
|
Q |
32.7 |
| 31.31 | 30.86 | 32.01 |
3
|
Q |
32.7 |
| 31.31 | 30.86 | 32.01 |
4
|
S |
69.9 |
| 68.91 | 68.64 | 69.41 |
|
|
Type: 1H 300.1
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| expt-1
| expt-2
| expt-3
| expt-4
| expt-5
| expt-6
| expt-7
|
1-H
|
|
1.24 |
| 1.2 | 1.21 | 1.05 | 1.11 | 1.16 | 1.28 | 1.18 | 1.4 |
2-H
|
|
1.24 |
| 1.2 | 1.21 | 1.05 | 1.11 | 1.16 | 1.28 | 1.18 | 1.4 |
3-H
|
|
1.24 |
| 1.2 | 1.21 | 1.05 | 1.11 | 1.16 | 1.28 | 1.18 | 1.4 |
5-H
|
|
|
| 2.4 | 1.64 | 1.55 | 4.19 | 2.18 |
|
|
Type: 1H 300.1
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| expt-1
| expt-2
| expt-3
| expt-4
| expt-5
| expt-6
| expt-7
|
1-H
|
|
1.4 |
| 1.2 | 1.21 | 1.05 | 1.11 | 1.16 | 1.28 | 1.18 | 1.24 |
2-H
|
|
1.4 |
| 1.2 | 1.21 | 1.05 | 1.11 | 1.16 | 1.28 | 1.18 | 1.24 |
3-H
|
|
1.4 |
| 1.2 | 1.21 | 1.05 | 1.11 | 1.16 | 1.28 | 1.18 | 1.24 |
5-H
|
|
|
| 2.4 | 1.64 | 1.55 | 4.19 | 2.18 |
|
|
Type: 1H 300.1
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| expt-1
| expt-2
| expt-3
| expt-4
| expt-5
| expt-6
| expt-7
|
1-H
|
|
1.18 |
| 1.2 | 1.21 | 1.05 | 1.11 | 1.16 | 1.28 | 1.4 | 1.24 |
2-H
|
|
1.18 |
| 1.2 | 1.21 | 1.05 | 1.11 | 1.16 | 1.28 | 1.4 | 1.24 |
3-H
|
|
1.18 |
| 1.2 | 1.21 | 1.05 | 1.11 | 1.16 | 1.28 | 1.4 | 1.24 |
5-H
|
|
|
| 2.4 | 1.64 | 1.55 | 4.19 | 2.18 |
|
|
Type: 1H 300.1
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| expt-1
| expt-2
| expt-3
| expt-4
| expt-5
| expt-6
| expt-7
|
1-H
|
|
1.28 |
| 1.2 | 1.21 | 1.05 | 1.11 | 1.16 | 1.18 | 1.4 | 1.24 |
2-H
|
|
1.28 |
| 1.2 | 1.21 | 1.05 | 1.11 | 1.16 | 1.18 | 1.4 | 1.24 |
3-H
|
|
1.28 |
| 1.2 | 1.21 | 1.05 | 1.11 | 1.16 | 1.18 | 1.4 | 1.24 |
5-H
|
|
|
| 2.4 | 1.64 | 1.55 | 4.19 | 2.18 |
|
|
Type: 1H 300.1
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| expt-1
| expt-2
| expt-3
| expt-4
| expt-5
| expt-6
| expt-7
|
1-H
|
|
1.16 |
| 1.2 | 1.21 | 1.05 | 1.11 | 1.28 | 1.18 | 1.4 | 1.24 |
2-H
|
|
1.16 |
| 1.2 | 1.21 | 1.05 | 1.11 | 1.28 | 1.18 | 1.4 | 1.24 |
3-H
|
|
1.16 |
| 1.2 | 1.21 | 1.05 | 1.11 | 1.28 | 1.18 | 1.4 | 1.24 |
5-H
|
|
2.18 |
| 2.4 | 1.64 | 1.55 | 4.19 |
|
|
Type: 1H 300.1
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| expt-1
| expt-2
| expt-3
| expt-4
| expt-5
| expt-6
| expt-7
|
1-H
|
|
1.11 |
| 1.2 | 1.21 | 1.05 | 1.16 | 1.28 | 1.18 | 1.4 | 1.24 |
2-H
|
|
1.11 |
| 1.2 | 1.21 | 1.05 | 1.16 | 1.28 | 1.18 | 1.4 | 1.24 |
3-H
|
|
1.11 |
| 1.2 | 1.21 | 1.05 | 1.16 | 1.28 | 1.18 | 1.4 | 1.24 |
5-H
|
|
4.19 |
| 2.4 | 1.64 | 1.55 | 2.18 |
|
|
Type: 1H 300.1
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| expt-1
| expt-2
| expt-3
| expt-4
| expt-5
| expt-6
| expt-7
|
1-H
|
|
1.05 |
| 1.2 | 1.21 | 1.11 | 1.16 | 1.28 | 1.18 | 1.4 | 1.24 |
2-H
|
|
1.05 |
| 1.2 | 1.21 | 1.11 | 1.16 | 1.28 | 1.18 | 1.4 | 1.24 |
3-H
|
|
1.05 |
| 1.2 | 1.21 | 1.11 | 1.16 | 1.28 | 1.18 | 1.4 | 1.24 |
5-H
|
|
1.55 |
| 2.4 | 1.64 | 4.19 | 2.18 |
|
|
Type: 1H 300
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| expt-1
| expt-2
| expt-3
| expt-4
| expt-5
| expt-6
| expt-7
|
1-H
|
|
1.21 |
| 1.2 | 1.05 | 1.11 | 1.16 | 1.28 | 1.18 | 1.4 | 1.24 |
2-H
|
|
1.21 |
| 1.2 | 1.05 | 1.11 | 1.16 | 1.28 | 1.18 | 1.4 | 1.24 |
3-H
|
|
1.21 |
| 1.2 | 1.05 | 1.11 | 1.16 | 1.28 | 1.18 | 1.4 | 1.24 |
5-H
|
|
1.64 |
| 2.4 | 1.55 | 4.19 | 2.18 |
|
|
Type: 1H 60
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| expt-1
| expt-2
| expt-3
| expt-4
| expt-5
| expt-6
| expt-7
|
1-H
|
|
1.2 |
| 1.21 | 1.05 | 1.11 | 1.16 | 1.28 | 1.18 | 1.4 | 1.24 |
2-H
|
|
1.2 |
| 1.21 | 1.05 | 1.11 | 1.16 | 1.28 | 1.18 | 1.4 | 1.24 |
3-H
|
|
1.2 |
| 1.21 | 1.05 | 1.11 | 1.16 | 1.28 | 1.18 | 1.4 | 1.24 |
5-H
|
|
2.4 |
| 1.64 | 1.55 | 4.19 | 2.18 |
|
|
Type: 13C Unreported
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| Prediction 1 acd_lotusv7 | Prediction 2 hose_lotusv7 |
1
|
Q |
31.31 |
| 32.7 | 30.86 | 32.01 |
2
|
Q |
31.31 |
| 32.7 | 30.86 | 32.01 |
3
|
Q |
31.31 |
| 32.7 | 30.86 | 32.01 |
4
|
S |
68.91 |
| 69.9 | 68.64 | 69.41 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0
| expt-1 Speclib | Prediction 2 hose_lotusv7 |
1
|
Q |
30.86 |
| 32.7 | 31.31 | 32.01 |
2
|
Q |
30.86 |
| 32.7 | 31.31 | 32.01 |
3
|
Q |
30.86 |
| 32.7 | 31.31 | 32.01 |
4
|
S |
68.64 |
| 69.9 | 68.91 | 69.41 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0
| expt-1 Speclib | Prediction 2 acd_lotusv7 |
1
|
Q |
32.01 |
| 32.7 | 31.31 | 30.86 |
2
|
Q |
32.01 |
| 32.7 | 31.31 | 30.86 |
3
|
Q |
32.01 |
| 32.7 | 31.31 | 30.86 |
4
|
S |
69.41 |
| 69.9 | 68.91 | 68.64 |
|
|
Report incorrect data
Copy molecule link
|
|
|
|
|
|
|
|