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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
21.88
21.19
2
S
170.68
170.46
5
D
70.77
75.77
6
T
46.90
36.8
7
S
34.22
34.64
8
Q
24.86
22.98
9
T
53.57
46.5
10
S
73.90
72.6
12
D
47.30
51.89
13
T
32.90
43.37
14
S
200.88
199.5
16
S
137.29
136.9
17
Q
15.60
16.5
18
D
141.58
145.85
19
D
64.28
67.9
21
T
37.89
34.95
22
T
16.89
20.8
23
D
55.94
48.29
24
S
37.12
37.67
25
Q
20.12
17.37
26
T
41.82
40.62
27
T
18.51
18.5
28
T
44.22
41.2
29
S
34.00
33.23
30
Q
32.54
27.39
31
Q
28.92
27.39
32
D
56.68
50.74
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
21.19
21.88
2
S
170.46
170.68
5
D
75.77
70.77
6
T
36.80
46.9
7
S
34.64
34.22
8
Q
22.98
24.86
9
T
46.50
53.57
10
S
72.60
73.9
12
D
51.89
47.3
13
T
43.37
32.9
14
S
199.50
200.88
16
S
136.90
137.29
17
Q
16.50
15.6
18
D
145.85
141.58
19
D
67.90
64.28
21
T
34.95
37.89
22
T
20.80
16.89
23
D
48.29
55.94
24
S
37.67
37.12
25
Q
17.37
20.12
26
T
40.62
41.82
27
T
18.50
18.51
28
T
41.20
44.22
29
S
33.23
34.0
30
Q
27.39
32.54
31
Q
27.39
28.92
32
D
50.74
56.68
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