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Details
This molecule with some stereoconfiguration:
Spectral Data
Additional Data
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Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
Q
35.50
33.33
3
S
113.09
115.69
5
S
96.36
100.58
7
S
121.78
131.65
8
S
123.35
130.8
9
S
156.86
157.95
12
T
41.73
49.91
13
T
20.42
23.91
14
T
35.62
37.35
15
S
85.14
96.37
17
S
157.78
155.1
20
D
54.75
61.73
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
33.33
35.5
3
S
115.69
113.09
5
S
100.58
96.36
7
S
131.65
121.78
8
S
130.80
123.35
9
S
157.95
156.86
12
T
49.91
41.73
13
T
23.91
20.42
14
T
37.35
35.62
15
S
96.37
85.14
17
S
155.10
157.78
20
D
61.73
54.75
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