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Details
This molecule without stereoconfiguration:
This molecule with other stereoconfigurations:
Spectral Data
Additional Data
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Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
Q
16.08
15.89
2
S
164.88
161.6
4
D
157.26
160.5
5
D
117.52
117.54
6
S
177.42
177.17
8
S
143.76
143.09
10
D
105.04
104.99
12
D
74.23
75.9
13
T
64.34
64.3
15
S
171.73
172.3
17
T
46.57
46.3
18
S
70.00
70.6
19
Q
28.20
27.8
21
T
46.37
45.9
22
S
174.60
174.8
25
D
69.15
71.41
27
D
76.08
77.5
29
D
75.20
75.47
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
15.89
16.08
2
S
161.60
164.88
4
D
160.50
157.26
5
D
117.54
117.52
6
S
177.17
177.42
8
S
143.09
143.76
10
D
104.99
105.04
12
D
75.90
74.23
13
T
64.30
64.34
15
S
172.30
171.73
17
T
46.30
46.57
18
S
70.60
70.0
19
Q
27.80
28.2
21
T
45.90
46.37
22
S
174.80
174.6
25
D
71.41
69.15
27
D
77.50
76.08
29
D
75.47
75.2
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