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Details
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This molecule with other stereoconfigurations:
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Type: 13C Unreported
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Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0 chemie koeln;Classics in Spectroscopy;NMReDATA | Prediction 1 acd_lotusv7 | Prediction 2 acd_lotusv7 | Prediction 3 acd_lotusv7 | Prediction 4 hose_lotusv7 | Prediction 5 hose_lotusv7 | Prediction 6 hose_lotusv7 |
1
|
D |
122.3 |
| 122.46 | 122.22 | 122.22 | 122.22 | 122.3 | 122.3 | 122.3 |
2
|
D |
108.2 |
| 108.36 | 108.24 | 108.24 | 108.24 | 108.2 | 108.2 | 108.2 |
3
|
S |
148.1 |
| 148.2 | 148.0 | 148.0 | 148.0 | 147.94 | 147.94 | 147.94 |
4
|
S |
148.0 |
| 148.14 | 148.02 | 148.02 | 148.02 | 148.0 | 148.0 | 148.0 |
5
|
D |
105.5 |
| 105.77 | 105.54 | 105.54 | 105.54 | 105.5 | 105.5 | 105.5 |
6
|
S |
130.9 |
| 130.85 | 130.94 | 130.94 | 130.94 | 130.9 | 130.9 | 130.9 |
7
|
D |
137.9 |
| 137.86 | 137.84 | 137.84 | 137.84 | 136.61 | 136.61 | 136.61 |
8
|
D |
125.1 |
| 125.19 | 125.22 | 125.22 | 125.22 | 123.34 | 123.34 | 123.34 |
9
|
D |
142.1 |
| 142.59 | 142.15 | 142.15 | 142.15 | 142.1 | 142.1 | 142.1 |
10
|
D |
120.0 |
| 120.08 | 120.02 | 120.02 | 120.02 | 120.0 | 120.0 | 120.0 |
11
|
S |
165.1 |
| 165.13 | 164.82 | 164.82 | 164.82 | 165.1 | 165.1 | 165.1 |
14
|
T |
46.3 |
| 46.57 | 46.08 | 46.08 | 46.08 | 44.8 | 44.8 | 44.8 |
15
|
T |
25.8 |
| 25.65 | 26.02 | 26.02 | 26.02 | 25.9 | 25.9 | 25.9 |
16
|
T |
24.4 |
| 24.83 | 24.7 | 24.7 | 24.7 | 24.5 | 24.5 | 24.5 |
17
|
T |
25.8 |
| 27.02 | 25.77 | 25.77 | 25.77 | 25.9 | 25.9 | 25.9 |
18
|
T |
43.3 |
| 43.4 | 43.28 | 43.28 | 43.28 | 44.8 | 44.8 | 44.8 |
20
|
T |
101.0 |
| 100.8 | 101.1 | 101.1 | 101.1 | 101.26 | 101.26 | 101.26 |
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Type: H,H-NOESY 399.9519958496094
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Axis: 1 (H) |
Axis: 2 (H) |
Atom |
Shift |
Atom |
Shift |
|
14
|
3.54 |
15
|
1.6 |
14
|
3.54 |
17
|
1.58 |
18
|
3.62 |
17
|
1.58 |
18
|
3.62 |
15
|
1.6 |
10
|
6.43 |
14
|
3.54 |
10
|
6.43 |
18
|
3.62 |
2
|
6.78 |
1
|
6.89 |
|
Show spectrum in full size
|
Type: H,H-NOESY 399.9519958496094
|
|
Axis: 1 (H) |
Axis: 2 (H) |
Atom |
Shift |
Atom |
Shift |
|
14
|
3.54 |
15
|
1.6 |
14
|
3.54 |
17
|
1.58 |
18
|
3.62 |
17
|
1.58 |
18
|
3.62 |
15
|
1.6 |
10
|
6.43 |
14
|
3.54 |
10
|
6.43 |
18
|
3.62 |
2
|
6.78 |
1
|
6.89 |
|
Show spectrum in full size
|
Type: H,H-NOESY 399.9519958496094
|
|
Axis: 1 (H) |
Axis: 2 (H) |
Atom |
Shift |
Atom |
Shift |
|
14
|
3.54 |
15
|
1.6 |
14
|
3.54 |
17
|
1.58 |
18
|
3.62 |
17
|
1.58 |
18
|
3.62 |
15
|
1.6 |
10
|
6.43 |
14
|
3.54 |
10
|
6.43 |
18
|
3.62 |
2
|
6.78 |
1
|
6.89 |
|
Show spectrum in full size
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