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Details
This molecule with some stereoconfiguration:
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
Q
21.60
21.3
2
S
172.00
170.5
5
T
61.80
65.5
6
S
54.88
55.0
7
D
69.28
68.9
9
S
161.80
165.99
11
S
118.70
119.9
12
D
109.90
109.8
13
D
144.20
143.6
15
D
148.70
147.6
16
T
34.77
34.7
17
D
49.10
49.1
18
D
77.61
78.1
20
S
169.60
169.6
21
Q
21.10
21.1
23
S
91.17
91.1
25
S
84.29
84.6
26
Q
28.15
27.55
27
Q
24.27
27.55
28
S
73.68
69.7
29
Q
27.26
25.1
31
T
42.13
41.6
32
D
69.37
67.4
34
S
161.59
165.99
36
S
116.22
119.9
37
D
109.91
109.8
38
D
143.84
143.6
40
D
148.67
147.6
41
D
76.27
75.1
43
S
161.47
165.99
45
S
118.89
119.9
46
D
109.67
109.8
47
D
144.31
143.6
49
D
148.74
147.6
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
21.30
21.6
2
S
170.50
172.0
5
T
65.50
61.8
6
S
55.00
54.88
7
D
68.90
69.28
9
S
165.99
161.8
11
S
119.90
118.7
12
D
109.80
109.9
13
D
143.60
144.2
15
D
147.60
148.7
16
T
34.70
34.77
17
D
49.10
49.1
18
D
78.10
77.61
20
S
169.60
169.6
21
Q
21.10
21.1
23
S
91.10
91.17
25
S
84.60
84.29
26
Q
27.55
28.15
27
Q
27.55
24.27
28
S
69.70
73.68
29
Q
25.10
27.26
31
T
41.60
42.13
32
D
67.40
69.37
34
S
165.99
161.59
36
S
119.90
116.22
37
D
109.80
109.91
38
D
143.60
143.84
40
D
147.60
148.67
41
D
75.10
76.27
43
S
165.99
161.47
45
S
119.90
118.89
46
D
109.80
109.67
47
D
143.60
144.31
49
D
147.60
148.74
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