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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
13.09
13.1
2
D
123.86
122.0
3
S
137.17
138.05
4
Q
11.10
11.05
5
D
81.93
82.4
7
D
41.39
41.65
8
Q
16.80
19.14
9
D
135.16
133.8
10
D
131.61
133.6
11
D
73.23
68.2
13
D
42.01
40.19
14
Q
11.68
13.66
15
D
72.26
73.75
17
T
39.44
36.0
18
D
74.11
71.73
19
T
34.96
39.29
20
S
176.84
177.75
22
D
89.00
90.34
23
S
168.47
161.62
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
13.10
13.09
2
D
122.00
123.86
3
S
138.05
137.17
4
Q
11.05
11.1
5
D
82.40
81.93
7
D
41.65
41.39
8
Q
19.14
16.8
9
D
133.80
135.16
10
D
133.60
131.61
11
D
68.20
73.23
13
D
40.19
42.01
14
Q
13.66
11.68
15
D
73.75
72.26
17
T
36.00
39.44
18
D
71.73
74.11
19
T
39.29
34.96
20
S
177.75
176.84
22
D
90.34
89.0
23
S
161.62
168.47
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