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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
55.90
55.9
3
S
143.65
144.0
4
D
110.54
111.3
5
D
122.42
120.1
6
S
128.97
133.3
7
S
132.13
127.43
8
S
147.64
146.2
10
D
89.44
90.93
11
T
32.58
37.8
12
D
65.97
66.0
14
T
28.48
28.45
15
T
28.39
35.15
16
S
49.30
40.77
17
T
37.99
37.7
18
T
43.79
47.0
20
T
48.33
53.8
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
55.90
55.9
3
S
144.00
143.65
4
D
111.30
110.54
5
D
120.10
122.42
6
S
133.30
128.97
7
S
127.43
132.13
8
S
146.20
147.64
10
D
90.93
89.44
11
T
37.80
32.58
12
D
66.00
65.97
14
T
28.45
28.48
15
T
35.15
28.39
16
S
40.77
49.3
17
T
37.70
37.99
18
T
47.00
43.79
20
T
53.80
48.33
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