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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
14.12
13.97
2
T
22.78
22.15
3
T
31.90
32.04
4
T
29.41
28.72
5
T
29.76
29.04
6
T
29.64
29.07
7
T
29.49
29.42
8
T
29.43
29.5
9
T
29.55
29.5
10
T
29.55
29.5
11
T
29.55
29.5
12
T
29.55
29.5
13
T
29.55
29.5
14
T
29.55
29.5
15
T
29.55
29.5
16
T
29.55
29.5
17
T
29.55
29.5
18
T
29.55
29.5
19
T
29.55
29.5
20
T
29.56
29.5
21
T
29.56
29.5
22
T
29.56
29.5
23
T
29.60
29.5
24
T
29.55
29.42
25
T
29.75
29.62
26
T
29.36
29.54
27
T
29.41
29.23
28
T
29.42
29.19
29
T
29.69
29.8
30
T
28.91
33.3
31
D
130.97
130.07
32
D
130.12
130.47
33
T
25.93
26.45
34
T
30.92
33.48
35
D
73.39
75.44
37
S
163.89
167.47
39
T
66.19
65.3
41
S
167.43
171.56
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
13.97
14.12
2
T
22.15
22.78
3
T
32.04
31.9
4
T
28.72
29.41
5
T
29.04
29.76
6
T
29.07
29.64
7
T
29.42
29.49
8
T
29.50
29.43
9
T
29.50
29.55
10
T
29.50
29.55
11
T
29.50
29.55
12
T
29.50
29.55
13
T
29.50
29.55
14
T
29.50
29.55
15
T
29.50
29.55
16
T
29.50
29.55
17
T
29.50
29.55
18
T
29.50
29.55
19
T
29.50
29.55
20
T
29.50
29.56
21
T
29.50
29.56
22
T
29.50
29.56
23
T
29.50
29.6
24
T
29.42
29.55
25
T
29.62
29.75
26
T
29.54
29.36
27
T
29.23
29.41
28
T
29.19
29.42
29
T
29.80
29.69
30
T
33.30
28.91
31
D
130.07
130.97
32
D
130.47
130.12
33
T
26.45
25.93
34
T
33.48
30.92
35
D
75.44
73.39
37
S
167.47
163.89
39
T
65.30
66.19
41
S
171.56
167.43
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