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Details
This molecule without stereoconfiguration:
This molecule with other stereoconfigurations:
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
Q
21.33
21.21
2
S
170.69
170.79
5
D
80.28
80.87
6
T
23.87
24.19
7
T
36.24
37.5
8
S
37.48
36.6
9
Q
24.41
15.68
10
D
54.25
55.6
11
T
18.18
18.6
12
T
35.72
32.9
13
S
39.32
39.67
14
Q
20.96
16.87
15
D
47.73
46.7
16
T
25.79
23.99
17
D
123.47
122.52
18
S
142.30
143.92
19
D
41.95
47.84
20
T
43.14
45.65
21
S
31.09
30.74
22
Q
29.98
28.48
23
Q
30.62
28.48
24
T
34.14
34.27
25
T
27.70
35.15
26
S
51.66
40.51
27
D
208.24
205.82
29
T
25.95
35.15
30
T
31.05
27.81
31
S
40.74
41.27
32
Q
20.88
26.04
33
S
38.28
37.91
34
Q
24.32
22.42
35
Q
22.88
22.42
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
21.21
21.33
2
S
170.79
170.69
5
D
80.87
80.28
6
T
24.19
23.87
7
T
37.50
36.24
8
S
36.60
37.48
9
Q
15.68
24.41
10
D
55.60
54.25
11
T
18.60
18.18
12
T
32.90
35.72
13
S
39.67
39.32
14
Q
16.87
20.96
15
D
46.70
47.73
16
T
23.99
25.79
17
D
122.52
123.47
18
S
143.92
142.3
19
D
47.84
41.95
20
T
45.65
43.14
21
S
30.74
31.09
22
Q
28.48
29.98
23
Q
28.48
30.62
24
T
34.27
34.14
25
T
35.15
27.7
26
S
40.51
51.66
27
D
205.82
208.24
29
T
35.15
25.95
30
T
27.81
31.05
31
S
41.27
40.74
32
Q
26.04
20.88
33
S
37.91
38.28
34
Q
22.42
24.32
35
Q
22.42
22.88
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