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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
56.4
3
S
165.10
165.31
4
D
97.80
96.33
5
S
160.70
161.59
7
S
104.90
108.4
8
S
177.60
177.6
10
S
134.40
136.2
12
D
102.00
101.1
14
D
75.70
76.4
15
T
61.90
60.8
17
D
71.36
69.7
19
D
73.40
77.3
21
D
71.20
73.9
23
S
156.20
158.4
24
S
124.80
123.41
25
D
124.30
122.17
26
D
116.90
110.96
27
S
146.60
147.63
29
D
101.10
102.6
31
D
72.30
77.15
32
T
62.95
60.81
34
D
70.62
70.55
36
D
71.29
76.05
38
D
73.10
74.9
40
S
149.70
148.19
42
D
101.70
102.55
44
D
76.80
77.15
45
T
60.90
61.08
47
D
69.90
69.69
49
D
76.20
76.05
51
D
73.20
74.99
53
D
119.00
108.62
55
S
155.30
157.41
56
D
92.30
92.34
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
56.40
56.02
3
S
165.31
165.1
4
D
96.33
97.8
5
S
161.59
160.7
7
S
108.40
104.9
8
S
177.60
177.6
10
S
136.20
134.4
12
D
101.10
102.0
14
D
76.40
75.7
15
T
60.80
61.9
17
D
69.70
71.36
19
D
77.30
73.4
21
D
73.90
71.2
23
S
158.40
156.2
24
S
123.41
124.8
25
D
122.17
124.3
26
D
110.96
116.9
27
S
147.63
146.6
29
D
102.60
101.1
31
D
77.15
72.3
32
T
60.81
62.95
34
D
70.55
70.62
36
D
76.05
71.29
38
D
74.90
73.1
40
S
148.19
149.7
42
D
102.55
101.7
44
D
77.15
76.8
45
T
61.08
60.9
47
D
69.69
69.9
49
D
76.05
76.2
51
D
74.99
73.2
53
D
108.62
119.0
55
S
157.41
155.3
56
D
92.34
92.3
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