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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
2
S
166.74
164.8
4
D
96.60
95.3
6
D
74.54
70.83
7
T
63.42
62.68
9
S
168.30
167.88
11
S
125.82
125.7
12
D
107.90
112.34
13
S
145.92
147.4
15
S
136.98
135.19
17
S
144.56
147.08
19
S
115.65
121.04
20
S
115.85
121.04
21
S
126.32
125.7
22
D
108.08
112.34
23
S
145.92
147.4
25
S
136.92
135.19
27
S
144.30
147.08
29
S
168.89
169.54
32
D
71.04
68.54
33
D
74.70
73.21
35
S
166.70
165.61
37
S
120.90
121.5
38
D
110.10
110.6
39
S
146.00
146.6
41
S
139.20
139.9
43
S
146.00
146.6
45
D
110.10
110.6
46
D
71.90
69.92
48
S
120.65
124.0
49
D
110.89
109.48
50
S
146.00
145.34
52
S
140.55
139.9
54
S
146.00
145.34
56
D
110.89
109.48
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
2
S
164.80
166.74
4
D
95.30
96.6
6
D
70.83
74.54
7
T
62.68
63.42
9
S
167.88
168.3
11
S
125.70
125.82
12
D
112.34
107.9
13
S
147.40
145.92
15
S
135.19
136.98
17
S
147.08
144.56
19
S
121.04
115.65
20
S
121.04
115.85
21
S
125.70
126.32
22
D
112.34
108.08
23
S
147.40
145.92
25
S
135.19
136.92
27
S
147.08
144.3
29
S
169.54
168.89
32
D
68.54
71.04
33
D
73.21
74.7
35
S
165.61
166.7
37
S
121.50
120.9
38
D
110.60
110.1
39
S
146.60
146.0
41
S
139.90
139.2
43
S
146.60
146.0
45
D
110.60
110.1
46
D
69.92
71.9
48
S
124.00
120.65
49
D
109.48
110.89
50
S
145.34
146.0
52
S
139.90
140.55
54
S
145.34
146.0
56
D
109.48
110.89
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