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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
56.90
61.8
3
D
82.90
85.36
4
D
80.10
82.85
6
D
106.10
104.9
8
D
77.50
77.04
9
T
63.10
61.1
11
D
72.10
71.7
13
D
77.57
78.4
15
D
76.50
74.18
17
D
71.00
70.4
18
Q
19.00
18.26
20
D
99.88
102.2
22
D
72.05
77.6
23
T
27.80
27.0
24
T
32.08
30.5
25
S
35.98
35.4
26
Q
23.48
23.8
27
D
35.75
35.7
28
T
23.55
21.02
29
T
39.95
41.2
30
S
50.20
50.9
31
Q
16.00
16.3
32
D
51.20
52.1
33
S
175.25
178.4
34
D
117.65
117.8
35
S
174.50
175.64
38
T
73.60
75.4
39
T
26.90
27.9
40
T
33.15
33.4
41
S
83.51
86.3
43
D
41.85
41.33
44
T
22.35
24.85
45
T
26.45
26.9
46
D
36.80
36.7
47
T
35.46
30.3
48
D
71.60
67.9
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
61.80
56.9
3
D
85.36
82.9
4
D
82.85
80.1
6
D
104.90
106.1
8
D
77.04
77.5
9
T
61.10
63.1
11
D
71.70
72.1
13
D
78.40
77.57
15
D
74.18
76.5
17
D
70.40
71.0
18
Q
18.26
19.0
20
D
102.20
99.88
22
D
77.60
72.05
23
T
27.00
27.8
24
T
30.50
32.08
25
S
35.40
35.98
26
Q
23.80
23.48
27
D
35.70
35.75
28
T
21.02
23.55
29
T
41.20
39.95
30
S
50.90
50.2
31
Q
16.30
16.0
32
D
52.10
51.2
33
S
178.40
175.25
34
D
117.80
117.65
35
S
175.64
174.5
38
T
75.40
73.6
39
T
27.90
26.9
40
T
33.40
33.15
41
S
86.30
83.51
43
D
41.33
41.85
44
T
24.85
22.35
45
T
26.90
26.45
46
D
36.70
36.8
47
T
30.30
35.46
48
D
67.90
71.6
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