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Details
This molecule with other stereoconfigurations:
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
Q
14.32
13.97
2
T
23.70
22.15
3
T
33.10
32.04
4
T
29.49
28.72
5
T
29.43
28.6
6
T
29.56
28.7
7
T
29.44
29.19
8
T
29.27
29.8
9
T
33.30
33.3
10
D
132.00
130.07
11
D
131.10
131.55
12
T
33.10
28.13
13
T
33.50
32.4
14
D
134.40
130.4
15
D
130.62
140.54
16
D
72.68
72.47
18
D
54.56
63.16
19
T
69.35
69.74
21
D
104.29
103.23
23
D
72.69
77.64
24
T
62.02
62.77
26
D
71.53
71.65
28
D
74.57
76.93
30
D
74.58
73.65
33
S
174.62
171.49
35
D
72.67
68.81
37
T
34.90
31.99
38
T
26.20
25.8
39
T
28.95
29.42
40
T
29.35
29.54
41
T
29.85
29.63
42
T
29.42
29.5
43
T
29.53
29.5
44
T
29.58
29.42
45
T
29.76
29.07
46
T
29.74
29.04
47
T
29.41
28.72
48
T
32.20
32.04
49
T
23.35
22.15
50
Q
14.36
13.97
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
13.97
14.32
2
T
22.15
23.7
3
T
32.04
33.1
4
T
28.72
29.49
5
T
28.60
29.43
6
T
28.70
29.56
7
T
29.19
29.44
8
T
29.80
29.27
9
T
33.30
33.3
10
D
130.07
132.0
11
D
131.55
131.1
12
T
28.13
33.1
13
T
32.40
33.5
14
D
130.40
134.4
15
D
140.54
130.62
16
D
72.47
72.68
18
D
63.16
54.56
19
T
69.74
69.35
21
D
103.23
104.29
23
D
77.64
72.69
24
T
62.77
62.02
26
D
71.65
71.53
28
D
76.93
74.57
30
D
73.65
74.58
33
S
171.49
174.62
35
D
68.81
72.67
37
T
31.99
34.9
38
T
25.80
26.2
39
T
29.42
28.95
40
T
29.54
29.35
41
T
29.63
29.85
42
T
29.50
29.42
43
T
29.50
29.53
44
T
29.42
29.58
45
T
29.07
29.76
46
T
29.04
29.74
47
T
28.72
29.41
48
T
32.04
32.2
49
T
22.15
23.35
50
Q
13.97
14.36
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