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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
T
114.24
114.12
2
S
150.92
128.7
3
D
43.83
38.9
4
S
170.22
164.9
5
D
117.47
118.87
6
S
174.50
175.64
9
T
73.12
74.96
10
T
26.87
26.94
11
T
33.42
33.77
12
S
81.27
73.6
14
D
55.78
48.53
15
T
26.68
40.21
16
D
45.21
50.5
17
D
48.39
46.97
18
T
20.31
24.77
19
T
27.37
26.21
20
D
40.37
42.47
21
T
34.87
33.71
22
D
72.24
77.6
24
D
99.88
102.38
26
D
71.20
70.4
27
Q
19.00
18.26
28
D
80.10
82.85
30
D
106.10
104.9
32
D
77.50
78.18
33
T
63.10
62.69
35
D
72.10
72.44
37
D
77.57
78.06
39
D
76.50
75.64
41
D
82.90
85.36
43
Q
56.90
61.8
44
D
72.27
67.9
46
T
29.45
29.13
47
T
33.41
36.76
48
S
36.36
37.47
49
Q
24.31
16.59
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
T
114.12
114.24
2
S
128.70
150.92
3
D
38.90
43.83
4
S
164.90
170.22
5
D
118.87
117.47
6
S
175.64
174.5
9
T
74.96
73.12
10
T
26.94
26.87
11
T
33.77
33.42
12
S
73.60
81.27
14
D
48.53
55.78
15
T
40.21
26.68
16
D
50.50
45.21
17
D
46.97
48.39
18
T
24.77
20.31
19
T
26.21
27.37
20
D
42.47
40.37
21
T
33.71
34.87
22
D
77.60
72.24
24
D
102.38
99.88
26
D
70.40
71.2
27
Q
18.26
19.0
28
D
82.85
80.1
30
D
104.90
106.1
32
D
78.18
77.5
33
T
62.69
63.1
35
D
72.44
72.1
37
D
78.06
77.57
39
D
75.64
76.5
41
D
85.36
82.9
43
Q
61.80
56.9
44
D
67.90
72.27
46
T
29.13
29.45
47
T
36.76
33.41
48
S
37.47
36.36
49
Q
16.59
24.31
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