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Details
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Type: 13C Unreported
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0 dkfz spektren database | expt-1
| Prediction 2 acd_lotusv7 | Prediction 3 hose_lotusv7 |
1
|
T |
63.4 |
| 67.3 | 62.637 | 63.66 | 64.19 |
2
|
T |
63.4 |
| 67.3 | 62.637 | 63.66 | 64.19 |
|
|
13C Spectrum | 60001552
Rating: 9 (9: 9: nmrshiftdb2 quality check: accept (admin)) |
Type: 13C 23
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| expt-1
| Prediction 2 acd_lotusv7 | Prediction 3 hose_lotusv7 |
1
|
T |
67.3 |
| 62.637 | 63.4 | 63.66 | 64.19 |
2
|
T |
67.3 |
| 62.637 | 63.4 | 63.66 | 64.19 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 dkfz spektren database | expt-1
| expt-2
| Prediction 3 hose_lotusv7 |
1
|
T |
63.66 |
| 67.3 | 62.637 | 63.4 | 64.19 |
2
|
T |
63.66 |
| 67.3 | 62.637 | 63.4 | 64.19 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 dkfz spektren database | expt-1
| expt-2
| Prediction 3 acd_lotusv7 |
1
|
T |
64.19 |
| 67.3 | 62.637 | 63.4 | 63.66 |
2
|
T |
64.19 |
| 67.3 | 62.637 | 63.4 | 63.66 |
|
|
Report incorrect data
Copy molecule link
| |
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|
|
Type: H,C-HSQC 500.1300048828125
|
|
Axis: 1 (H) |
Axis: 2 (C) |
Atom |
Shift |
Shift |
|
2
|
2.87 |
84.16 |
3
|
3.03 |
86.61 |
4
|
3.07 |
78.97 |
5
|
3.14 |
75.14 |
11
|
3.35 |
58.39 |
7
|
3.42 |
55.22 |
10
|
3.48 |
59.36 |
8
|
3.49 |
59.23 |
6
|
3.51 |
71.42 |
6
|
3.56 |
71.42 |
9
|
3.57 |
59.86 |
1
|
4.01 |
104.44 |
|
Show spectrum in full size
|
Type: H,C-HMBC 500.1300048828125
|
|
Axis: 1 (H) |
Axis: 2 (C) |
Atom |
Shift |
Atom |
Shift |
|
2
|
2.87 |
1
|
104.44 |
2
|
2.87 |
3
|
86.61 |
3
|
3.03 |
4
|
78.97 |
3
|
3.03 |
9
|
59.86 |
4
|
3.07 |
6
|
71.42 |
4
|
3.07 |
5
|
75.14 |
4
|
3.07 |
3
|
86.61 |
5
|
3.14 |
4
|
78.97 |
11
|
3.35 |
6
|
71.42 |
7
|
3.42 |
1
|
104.44 |
10
|
3.48 |
4
|
78.97 |
8
|
3.49 |
2
|
84.16 |
6
|
3.51 |
11
|
58.39 |
6
|
3.56 |
11
|
58.39 |
9
|
3.57 |
3
|
86.61 |
1
|
4.01 |
7
|
55.22 |
1
|
4.01 |
5
|
75.14 |
|
Show spectrum in full size
|
Report incorrect data
Copy dataset link
Copy molecule link
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