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Details
This molecule without stereoconfiguration:
This molecule with other stereoconfigurations:
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
Q
21.91
23.1
2
S
48.33
41.0
3
Q
20.46
23.1
4
D
84.87
77.9
6
D
76.87
78.17
8
D
60.43
49.9
9
S
77.98
76.04
10
Q
28.90
23.8
12
D
53.87
52.86
13
T
20.93
28.6
14
T
26.51
26.94
15
D
56.00
51.89
16
D
79.27
77.07
18
S
52.53
44.87
19
T
43.43
38.15
20
D
71.40
75.9
22
S
84.53
84.99
24
T
60.20
53.09
25
S
80.10
80.59
26
Q
27.08
26.02
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
23.10
21.91
2
S
41.00
48.33
3
Q
23.10
20.46
4
D
77.90
84.87
6
D
78.17
76.87
8
D
49.90
60.43
9
S
76.04
77.98
10
Q
23.80
28.9
12
D
52.86
53.87
13
T
28.60
20.93
14
T
26.94
26.51
15
D
51.89
56.0
16
D
77.07
79.27
18
S
44.87
52.53
19
T
38.15
43.43
20
D
75.90
71.4
22
S
84.99
84.53
24
T
53.09
60.2
25
S
80.59
80.1
26
Q
26.02
27.08
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