|
Search Results
|
|
|
|
You did not do a search!
|
|
|
|
|
|
|
|
Bookmarks
|
|
|
|
You could bookmark structures if you were logged in!
|
|
|
|
|
|
|
Details
|
|
|
|
This molecule without stereoconfiguration: This molecule with other stereoconfigurations:
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 hose_lotusv7 |
1
|
Q |
14.30 |
| 13.97 |
2
|
T |
24.20 |
| 22.15 |
3
|
T |
33.60 |
| 32.04 |
4
|
T |
29.24 |
| 28.72 |
5
|
T |
29.47 |
| 29.04 |
6
|
T |
29.48 |
| 29.07 |
7
|
T |
29.39 |
| 29.7 |
8
|
T |
29.23 |
| 29.78 |
9
|
T |
29.54 |
| 29.8 |
10
|
T |
24.91 |
| 30.1 |
11
|
T |
34.53 |
| 35.03 |
12
|
S |
173.24 |
| 173.5 |
15
|
D |
73.47 |
| 73.95 |
16
|
D |
99.49 |
| 100.6 |
18
|
D |
80.92 |
| 83.12 |
19
|
D |
68.88 |
| 69.62 |
20
|
Q |
19.30 |
| 18.11 |
22
|
D |
98.75 |
| 103.29 |
24
|
D |
80.22 |
| 78.67 |
25
|
D |
73.45 |
| 69.4 |
27
|
D |
77.07 |
| 73.4 |
29
|
D |
72.54 |
| 69.1 |
30
|
Q |
17.15 |
| 17.6 |
32
|
D |
104.39 |
| 101.32 |
34
|
D |
82.47 |
| 73.08 |
35
|
T |
35.45 |
| 33.66 |
36
|
T |
25.30 |
| 24.97 |
37
|
T |
32.40 |
| 31.77 |
38
|
T |
23.11 |
| 21.7 |
39
|
Q |
14.25 |
| 13.5 |
40
|
T |
34.18 |
| 34.46 |
41
|
T |
24.96 |
| 25.14 |
42
|
T |
28.23 |
| 28.54 |
43
|
T |
28.63 |
| 29.66 |
44
|
T |
27.88 |
| 28.62 |
45
|
T |
29.39 |
| 29.78 |
46
|
T |
28.60 |
| 29.76 |
47
|
T |
24.68 |
| 26.03 |
48
|
T |
34.50 |
| 33.34 |
49
|
S |
173.26 |
| 173.4 |
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 hose_lotusv7 |
52
|
D |
73.86 |
| 73.95 |
53
|
D |
69.82 |
| 72.73 |
56
|
D |
69.02 |
| 69.62 |
57
|
Q |
19.33 |
| 18.11 |
58
|
D |
81.32 |
| 83.12 |
60
|
D |
101.49 |
| 100.6 |
62
|
D |
67.79 |
| 69.6 |
63
|
Q |
17.99 |
| 17.7 |
64
|
D |
76.01 |
| 73.05 |
66
|
S |
173.02 |
| 173.5 |
68
|
T |
35.93 |
| 36.62 |
69
|
T |
18.09 |
| 18.66 |
70
|
Q |
13.68 |
| 13.71 |
71
|
D |
72.72 |
| 71.6 |
73
|
D |
80.01 |
| 78.2 |
75
|
D |
105.84 |
| 106.39 |
77
|
D |
77.73 |
| 78.77 |
78
|
T |
61.88 |
| 62.69 |
80
|
D |
70.74 |
| 71.7 |
82
|
D |
77.47 |
| 78.37 |
84
|
D |
75.30 |
| 76.39 |
86
|
D |
70.08 |
| 72.84 |
|
|
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 acd_lotusv7 |
1
|
Q |
13.97 |
| 14.3 |
2
|
T |
22.15 |
| 24.2 |
3
|
T |
32.04 |
| 33.6 |
4
|
T |
28.72 |
| 29.24 |
5
|
T |
29.04 |
| 29.47 |
6
|
T |
29.07 |
| 29.48 |
7
|
T |
29.70 |
| 29.39 |
8
|
T |
29.78 |
| 29.23 |
9
|
T |
29.80 |
| 29.54 |
10
|
T |
30.10 |
| 24.91 |
11
|
T |
35.03 |
| 34.53 |
12
|
S |
173.50 |
| 173.24 |
15
|
D |
73.95 |
| 73.47 |
16
|
D |
100.60 |
| 99.49 |
18
|
D |
83.12 |
| 80.92 |
19
|
D |
69.62 |
| 68.88 |
20
|
Q |
18.11 |
| 19.3 |
22
|
D |
103.29 |
| 98.75 |
24
|
D |
78.67 |
| 80.22 |
25
|
D |
69.40 |
| 73.45 |
27
|
D |
73.40 |
| 77.07 |
29
|
D |
69.10 |
| 72.54 |
30
|
Q |
17.60 |
| 17.15 |
32
|
D |
101.32 |
| 104.39 |
34
|
D |
73.08 |
| 82.47 |
35
|
T |
33.66 |
| 35.45 |
36
|
T |
24.97 |
| 25.3 |
37
|
T |
31.77 |
| 32.4 |
38
|
T |
21.70 |
| 23.11 |
39
|
Q |
13.50 |
| 14.25 |
40
|
T |
34.46 |
| 34.18 |
41
|
T |
25.14 |
| 24.96 |
42
|
T |
28.54 |
| 28.23 |
43
|
T |
29.66 |
| 28.63 |
44
|
T |
28.62 |
| 27.88 |
45
|
T |
29.78 |
| 29.39 |
46
|
T |
29.76 |
| 28.6 |
47
|
T |
26.03 |
| 24.68 |
48
|
T |
33.34 |
| 34.5 |
49
|
S |
173.40 |
| 173.26 |
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 acd_lotusv7 |
52
|
D |
73.95 |
| 73.86 |
53
|
D |
72.73 |
| 69.82 |
56
|
D |
69.62 |
| 69.02 |
57
|
Q |
18.11 |
| 19.33 |
58
|
D |
83.12 |
| 81.32 |
60
|
D |
100.60 |
| 101.49 |
62
|
D |
69.60 |
| 67.79 |
63
|
Q |
17.70 |
| 17.99 |
64
|
D |
73.05 |
| 76.01 |
66
|
S |
173.50 |
| 173.02 |
68
|
T |
36.62 |
| 35.93 |
69
|
T |
18.66 |
| 18.09 |
70
|
Q |
13.71 |
| 13.68 |
71
|
D |
71.60 |
| 72.72 |
73
|
D |
78.20 |
| 80.01 |
75
|
D |
106.39 |
| 105.84 |
77
|
D |
78.77 |
| 77.73 |
78
|
T |
62.69 |
| 61.88 |
80
|
D |
71.70 |
| 70.74 |
82
|
D |
78.37 |
| 77.47 |
84
|
D |
76.39 |
| 75.3 |
86
|
D |
72.84 |
| 70.08 |
|
|
Report incorrect data
Copy molecule link
|
|
|
|
|
|
|
|