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This molecule without stereoconfiguration: This molecule with other stereoconfigurations:
Type: 13C Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 NMReDATA | Prediction 1 hose_lotusv7 |
1
|
T |
114.34 |
| 101.33 | 114.15 |
2
|
D |
140.89 |
| 157.36 | 141.59 |
3
|
D |
39.53 |
| 121.48 | 39.85 |
4
|
T |
53.38 |
| 131.51 | 55.68 |
6
|
T |
44.46 |
| 126.45 | 44.19 |
7
|
T |
27.06 |
| 26.53 |
8
|
D |
27.68 |
| 147.62 | 27.82 |
9
|
T |
23.69 |
| 118.51 | 22.1 |
10
|
D |
60.51 |
| 147.87 | 59.96 |
11
|
D |
70.16 |
| 71.97 | 71.66 |
13
|
S |
147.04 |
| 21.36 | 148.02 |
14
|
D |
118.77 |
| 28.33 | 120.45 |
15
|
D |
147.27 |
| 40.22 | 147.51 |
17
|
S |
144.10 |
| 143.73 |
18
|
D |
130.92 |
| 50.32 | 130.98 |
19
|
D |
121.27 |
| 26.58 | 119.12 |
20
|
S |
157.42 |
| 140.55 | 157.44 |
22
|
Q |
55.38 |
| 55.68 |
24
|
S |
127.01 |
| 126.3 |
|
Double click upper part to get resizeable window!
|
Type: 13C Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 NMReDATA | Prediction 1 acd_lotusv7 |
1
|
T |
114.15 |
| 101.33 | 114.34 |
2
|
D |
141.59 |
| 157.36 | 140.89 |
3
|
D |
39.85 |
| 121.48 | 39.53 |
4
|
T |
55.68 |
| 131.51 | 53.38 |
6
|
T |
44.19 |
| 126.45 | 44.46 |
7
|
T |
26.53 |
| 27.06 |
8
|
D |
27.82 |
| 147.62 | 27.68 |
9
|
T |
22.10 |
| 118.51 | 23.69 |
10
|
D |
59.96 |
| 147.87 | 60.51 |
11
|
D |
71.66 |
| 71.97 | 70.16 |
13
|
S |
148.02 |
| 21.36 | 147.04 |
14
|
D |
120.45 |
| 28.33 | 118.77 |
15
|
D |
147.51 |
| 40.22 | 147.27 |
17
|
S |
143.73 |
| 144.1 |
18
|
D |
130.98 |
| 50.32 | 130.92 |
19
|
D |
119.12 |
| 26.58 | 121.27 |
20
|
S |
157.44 |
| 140.55 | 157.42 |
22
|
T |
55.68 |
| 55.38 |
24
|
S |
126.30 |
| 127.01 |
|
Double click upper part to get resizeable window!
|
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