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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
56.02
55.99
3
S
146.80
149.0
4
D
110.10
111.7
5
S
132.77
133.9
6
D
72.64
74.4
8
D
87.17
87.6
9
T
60.47
62.1
12
S
135.00
139.05
13
S
153.58
151.84
15
Q
56.50
56.3
16
D
103.41
102.79
17
S
138.30
132.9
18
D
84.96
82.0
20
T
69.75
71.44
21
D
54.66
50.1
22
D
84.96
82.0
23
S
138.30
132.9
24
D
103.41
102.79
25
S
153.58
151.84
27
Q
56.50
56.3
28
S
135.00
139.05
30
D
87.17
87.6
31
T
60.47
62.1
33
D
72.64
74.4
35
S
132.77
133.9
36
D
119.41
121.0
37
D
114.70
115.75
38
S
146.11
147.95
40
S
146.80
149.0
42
Q
56.02
55.99
43
D
110.10
111.7
44
S
153.58
151.84
46
Q
56.50
56.3
47
D
103.41
102.79
49
T
69.75
71.44
50
D
54.66
50.1
51
D
103.41
102.79
52
S
153.58
151.84
54
Q
56.50
56.3
55
D
119.41
121.0
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
56
D
114.70
115.75
57
S
146.11
147.95
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
55.99
56.02
3
S
149.00
146.8
4
D
111.70
110.1
5
S
133.90
132.77
6
D
74.40
72.64
8
D
87.60
87.17
9
T
62.10
60.47
12
S
139.05
135.0
13
S
151.84
153.58
15
Q
56.30
56.5
16
D
102.79
103.41
17
S
132.90
138.3
18
D
82.00
84.96
20
T
71.44
69.75
21
D
50.10
54.66
22
D
82.00
84.96
23
S
132.90
138.3
24
D
102.79
103.41
25
S
151.84
153.58
27
Q
56.30
56.5
28
S
139.05
135.0
30
D
87.60
87.17
31
T
62.10
60.47
33
D
74.40
72.64
35
S
133.90
132.77
36
D
121.00
119.41
37
D
115.75
114.7
38
S
147.95
146.11
40
S
149.00
146.8
42
Q
55.99
56.02
43
D
111.70
110.1
44
S
151.84
153.58
46
Q
56.30
56.5
47
D
102.79
103.41
49
T
71.44
69.75
50
D
50.10
54.66
51
D
102.79
103.41
52
S
151.84
153.58
54
Q
56.30
56.5
55
D
121.00
119.41
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
56
D
115.75
114.7
57
S
147.95
146.11
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