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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
19.77
23.1
2
S
143.75
146.9
3
Q
22.60
22.8
4
S
126.90
126.9
5
T
39.17
40.7
6
S
42.00
39.81
7
Q
17.00
22.05
8
S
164.00
168.5
9
D
126.85
128.23
10
S
191.53
191.3
12
T
29.80
26.2
13
T
31.50
26.2
14
D
75.79
75.0
16
S
166.01
166.14
18
D
107.73
128.48
19
D
162.39
-1.0
21
Q
26.90
25.79
23
D
46.30
40.9
24
Q
10.70
13.1
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
23.10
19.77
2
S
146.90
143.75
3
Q
22.80
22.6
4
S
126.90
126.9
5
T
40.70
39.17
6
S
39.81
42.0
7
Q
22.05
17.0
8
S
168.50
164.0
9
D
128.23
126.85
10
S
191.30
191.53
12
T
26.20
29.8
13
T
26.20
31.5
14
D
75.00
75.79
16
S
166.14
166.01
18
D
128.48
107.73
19
D
0
162.39
21
Q
25.79
26.9
23
D
40.90
46.3
24
Q
13.10
10.7
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