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This molecule without stereoconfiguration: This molecule with other stereoconfigurations:
Type: 13C 100.0 Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| Prediction 0 acd_lotusv7 | Prediction 1 hose_lotusv7 |
1'
|
S |
131.0 |
| 131.2 | 131.0 |
1''
|
D |
100.9 |
| 100.15 | 100.9 |
1'''
|
D |
99.8 |
| 99.9 | 100.29 |
2
|
D |
78.8 |
| 78.4 | 78.8 |
2'
|
D |
114.2 |
| 114.3 | 114.2 |
2''
|
D |
73.3 |
| 73.1 | 73.7 |
2'''
|
D |
70.6 |
| 70.53 | 70.36 |
3
|
T |
42.3 |
| 42.0 | 42.3 |
3'
|
S |
146.1 |
| 146.45 | 146.1 |
3''
|
D |
76.6 |
| 76.4 | 76.6 |
3'''
|
D |
71.1 |
| 70.57 | 70.69 |
4
|
S |
197.4 |
| 196.7 | 197.4 |
4'
|
S |
148.0 |
| 147.9 | 148.0 |
4''
|
D |
69.9 |
| 70.25 | 70.0 |
4'''
|
D |
72.5 |
| 72.16 | 72.5 |
4'-OCH3
|
Q |
56.0 |
| 55.5 | 55.55 |
5
|
S |
165.4 |
| 163.0 | 165.4 |
5'
|
D |
112.0 |
| 112.25 | 112.0 |
5''
|
D |
75.7 |
| 75.6 | 75.7 |
5'''
|
D |
68.7 |
| 68.43 | 68.32 |
6
|
D |
96.8 |
| 96.7 | 96.8 |
6'
|
D |
118.0 |
| 117.8 | 118.0 |
6''
|
T |
66.4 |
| 66.2 | 66.4 |
6'''
|
Q |
18.2 |
| 17.8 | 18.2 |
7
|
S |
163.3 |
| 165.2 | 163.3 |
8
|
D |
95.9 |
| 95.8 | 95.9 |
9
|
S |
162.8 |
| 162.5 | 162.8 |
10
|
S |
103.6 |
| 103.5 | 103.6 |
|
Double click upper part to get resizeable window!
|
Type: 13C Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0
| Prediction 1 hose_lotusv7 |
16
|
D |
75.60 |
| 75.7 | 75.7 |
17
|
D |
70.25 |
| 69.9 | 70.0 |
18
|
D |
76.40 |
| 76.6 | 76.6 |
19
|
D |
73.10 |
| 73.3 | 73.7 |
20
|
D |
70.53 |
| 70.6 | 70.36 |
21
|
D |
99.90 |
| 99.8 | 100.29 |
22
|
D |
70.57 |
| 71.1 | 70.69 |
23
|
D |
72.16 |
| 72.5 | 72.5 |
24
|
D |
100.15 |
| 100.9 | 100.9 |
25
|
T |
66.20 |
| 66.4 | 66.4 |
26
|
D |
68.43 |
| 68.7 | 68.32 |
27
|
Q |
17.80 |
| 18.2 | 18.2 |
28
|
S |
165.20 |
| 163.3 | 163.3 |
29
|
D |
95.80 |
| 95.9 | 95.9 |
30
|
S |
162.50 |
| 162.8 | 162.8 |
31
|
D |
96.70 |
| 96.8 | 96.8 |
32
|
S |
103.50 |
| 103.6 | 103.6 |
33
|
D |
78.40 |
| 78.8 | 78.8 |
34
|
T |
42.00 |
| 42.3 | 42.3 |
35
|
S |
163.00 |
| 165.4 | 165.4 |
36
|
S |
196.70 |
| 197.4 | 197.4 |
37
|
S |
131.20 |
| 131.0 | 131.0 |
38
|
D |
114.30 |
| 114.2 | 114.2 |
39
|
D |
117.80 |
| 118.0 | 118.0 |
40
|
S |
146.45 |
| 146.1 | 146.1 |
41
|
D |
112.25 |
| 112.0 | 112.0 |
42
|
S |
147.90 |
| 148.0 | 148.0 |
43
|
Q |
55.50 |
| 56.0 | 55.55 |
|
Double click upper part to get resizeable window!
|
13C Spectrum | 70135685
Rating: 10 |
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