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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
31.77
33.8
2
S
211.44
213.3
4
D
60.08
58.3
5
D
74.43
74.04
7
T
37.17
38.19
8
D
52.68
46.97
9
D
43.70
45.9
10
D
46.55
41.9
11
D
30.23
33.0
12
Q
21.04
21.0
13
Q
20.74
21.0
14
T
23.00
26.94
15
T
38.80
44.08
16
S
72.39
73.29
17
Q
28.19
26.02
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
33.80
31.77
2
S
213.30
211.44
4
D
58.30
60.08
5
D
74.04
74.43
7
T
38.19
37.17
8
D
46.97
52.68
9
D
45.90
43.7
10
D
41.90
46.55
11
D
33.00
30.23
12
Q
21.00
21.04
13
Q
21.00
20.74
14
T
26.94
23.0
15
T
44.08
38.8
16
S
73.29
72.39
17
Q
26.02
28.19
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