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Details
This molecule with some stereoconfiguration:
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
Q
12.00
12.3
2
T
23.03
23.0
3
D
46.01
46.05
4
T
26.89
26.4
5
T
34.07
34.0
6
D
36.26
36.3
7
Q
18.71
18.8
8
D
56.15
56.1
9
T
28.75
28.3
10
T
24.73
24.3
11
D
53.30
56.9
12
D
34.42
32.3
13
T
31.88
32.0
14
D
122.08
121.99
15
S
140.48
140.68
16
T
39.00
39.1
17
D
79.49
78.4
19
D
97.30
103.0
21
D
68.00
73.7
22
T
63.94
63.5
24
S
170.95
170.1
25
Q
20.90
20.4
27
D
68.80
69.65
29
D
71.10
76.17
31
D
69.40
75.1
33
T
30.63
30.0
34
T
36.46
37.49
35
S
37.57
37.08
36
Q
23.91
19.5
37
D
50.54
50.5
38
T
21.17
21.2
39
T
36.28
40.0
40
S
42.35
42.3
41
Q
11.93
12.0
42
D
29.61
28.95
43
Q
19.68
19.2
44
Q
18.96
19.2
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
12.30
12.0
2
T
23.00
23.03
3
D
46.05
46.01
4
T
26.40
26.89
5
T
34.00
34.07
6
D
36.30
36.26
7
Q
18.80
18.71
8
D
56.10
56.15
9
T
28.30
28.75
10
T
24.30
24.73
11
D
56.90
53.3
12
D
32.30
34.42
13
T
32.00
31.88
14
D
121.99
122.08
15
S
140.68
140.48
16
T
39.10
39.0
17
D
78.40
79.49
19
D
103.00
97.3
21
D
73.70
68.0
22
T
63.50
63.94
24
S
170.10
170.95
25
Q
20.40
20.9
27
D
69.65
68.8
29
D
76.17
71.1
31
D
75.10
69.4
33
T
30.00
30.63
34
T
37.49
36.46
35
S
37.08
37.57
36
Q
19.50
23.91
37
D
50.50
50.54
38
T
21.20
21.17
39
T
40.00
36.28
40
S
42.30
42.35
41
Q
12.00
11.93
42
D
28.95
29.61
43
Q
19.20
19.68
44
Q
19.20
18.96
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