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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
29.70
28.0
2
S
205.90
208.6
4
T
44.80
39.28
5
D
47.90
49.27
6
S
203.90
201.0
8
S
143.34
140.8
9
T
64.70
63.0
11
D
137.80
139.9
12
T
35.80
40.74
13
S
40.00
38.72
14
Q
26.20
22.98
15
T
39.30
40.9
16
T
22.59
22.1
17
D
125.24
125.2
18
S
131.42
131.2
19
Q
19.82
19.25
20
Q
20.14
24.15
21
D
44.17
49.86
22
D
111.50
102.7
23
D
137.82
151.04
25
S
163.14
166.14
27
D
114.60
115.88
28
S
158.63
157.72
29
Q
22.96
20.18
30
Q
22.95
26.54
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
28.00
29.7
2
S
208.60
205.9
4
T
39.28
44.8
5
D
49.27
47.9
6
S
201.00
203.9
8
S
140.80
143.34
9
T
63.00
64.7
11
D
139.90
137.8
12
T
40.74
35.8
13
S
38.72
40.0
14
Q
22.98
26.2
15
T
40.90
39.3
16
T
22.10
22.59
17
D
125.20
125.24
18
S
131.20
131.42
19
Q
19.25
19.82
20
Q
24.15
20.14
21
D
49.86
44.17
22
D
102.70
111.5
23
D
151.04
137.82
25
S
166.14
163.14
27
D
115.88
114.6
28
S
157.72
158.63
29
Q
20.18
22.96
30
Q
26.54
22.95
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