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Details
This molecule with other stereoconfigurations:
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
Q
55.55
56.57
3
S
162.40
162.23
4
D
114.55
114.61
5
D
128.25
128.3
6
S
122.70
122.6
7
S
163.10
164.64
8
D
103.24
102.7
9
S
182.27
182.44
11
S
105.78
106.0
12
S
152.85
152.51
14
S
128.79
137.57
16
D
102.57
99.15
18
D
78.48
77.62
19
T
62.62
62.24
21
D
69.98
71.32
23
D
75.81
78.38
25
D
79.47
79.13
27
D
104.17
106.39
29
D
77.15
78.77
30
T
60.87
61.1
32
D
70.11
71.7
34
D
76.59
78.37
36
D
74.55
76.39
38
S
158.62
157.08
40
Q
56.90
56.36
41
D
92.88
96.3
42
S
152.37
152.29
44
D
128.25
128.3
45
D
114.55
114.61
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
56.57
55.55
3
S
162.23
162.4
4
D
114.61
114.55
5
D
128.30
128.25
6
S
122.60
122.7
7
S
164.64
163.1
8
D
102.70
103.24
9
S
182.44
182.27
11
S
106.00
105.78
12
S
152.51
152.85
14
S
137.57
128.79
16
D
99.15
102.57
18
D
77.62
78.48
19
T
62.24
62.62
21
D
71.32
69.98
23
D
78.38
75.81
25
D
79.13
79.47
27
D
106.39
104.17
29
D
78.77
77.15
30
T
61.10
60.87
32
D
71.70
70.11
34
D
78.37
76.59
36
D
76.39
74.55
38
S
157.08
158.62
40
Q
56.36
56.9
41
D
96.30
92.88
42
S
152.29
152.37
44
D
128.30
128.25
45
D
114.61
114.55
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