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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
21.70
21.27
2
S
130.14
130.22
3
S
137.36
137.43
4
D
128.71
127.5
5
D
137.18
137.2
6
S
139.80
137.77
7
Q
12.78
12.17
8
D
129.70
130.29
9
D
131.57
125.79
10
D
135.93
140.7
11
S
154.46
154.8
12
Q
13.89
20.11
13
D
118.09
118.13
14
S
170.60
170.58
17
S
34.33
33.83
18
Q
28.95
28.62
19
Q
28.95
28.62
20
T
39.90
39.23
21
T
19.33
18.55
22
T
33.30
32.67
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
21.27
21.7
2
S
130.22
130.14
3
S
137.43
137.36
4
D
127.50
128.71
5
D
137.20
137.18
6
S
137.77
139.8
7
Q
12.17
12.78
8
D
130.29
129.7
9
D
125.79
131.57
10
D
140.70
135.93
11
S
154.80
154.46
12
Q
20.11
13.89
13
D
118.13
118.09
14
S
170.58
170.6
17
S
33.83
34.33
18
Q
28.62
28.95
19
Q
28.62
28.95
20
T
39.23
39.9
21
T
18.55
19.33
22
T
32.67
33.3
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