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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
23.24
23.2
2
S
134.60
134.5
3
D
123.23
123.6
4
D
35.76
36.16
5
T
34.99
31.44
6
S
156.45
141.6
7
D
121.12
124.43
8
S
173.87
172.01
11
T
46.05
50.65
12
S
174.19
171.91
15
D
71.62
61.0
16
S
39.73
39.32
17
Q
23.13
25.3
18
Q
25.13
25.3
19
D
46.38
46.1
20
T
22.44
26.43
21
T
29.88
30.47
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
23.20
23.24
2
S
134.50
134.6
3
D
123.60
123.23
4
D
36.16
35.76
5
T
31.44
34.99
6
S
141.60
156.45
7
D
124.43
121.12
8
S
172.01
173.87
11
T
50.65
46.05
12
S
171.91
174.19
15
D
61.00
71.62
16
S
39.32
39.73
17
Q
25.30
23.13
18
Q
25.30
25.13
19
D
46.10
46.38
20
T
26.43
22.44
21
T
30.47
29.88
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