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Details
This molecule without stereoconfiguration:
This molecule with other stereoconfigurations:
General
NMReDATA/Chloroform-D1 (CDCl3)
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
NMReDATA
Prediction 1
hose_lotusv7
1
T
114.34
101.33
114.15
2
D
140.89
157.36
141.59
3
D
39.53
121.48
39.85
4
T
53.38
131.51
55.68
6
T
44.46
126.45
44.19
7
T
27.06
26.53
8
D
27.68
147.62
27.82
9
T
23.69
118.51
22.1
10
D
60.51
147.87
59.96
11
D
70.16
71.97
71.66
13
S
147.04
21.36
148.02
14
D
118.77
28.33
120.45
15
D
147.27
40.22
147.51
17
S
144.10
143.73
18
D
130.92
50.32
130.98
19
D
121.27
26.58
119.12
20
S
157.42
140.55
157.44
22
Q
55.38
55.68
24
S
127.01
126.3
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
NMReDATA
Prediction 1
acd_lotusv7
1
T
114.15
101.33
114.34
2
D
141.59
157.36
140.89
3
D
39.85
121.48
39.53
4
T
55.68
131.51
53.38
6
T
44.19
126.45
44.46
7
T
26.53
27.06
8
D
27.82
147.62
27.68
9
T
22.10
118.51
23.69
10
D
59.96
147.87
60.51
11
D
71.66
71.97
70.16
13
S
148.02
21.36
147.04
14
D
120.45
28.33
118.77
15
D
147.51
40.22
147.27
17
S
143.73
144.1
18
D
130.98
50.32
130.92
19
D
119.12
26.58
121.27
20
S
157.44
140.55
157.42
22
T
55.68
55.38
24
S
126.30
127.01
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