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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
56.5
57.6
3
S
159.5
161.9
4
D
111.0
113.1
5
S
141.7
144.3
6
Q
22.8
24.2
7
S
115.8
116.0
8
S
178.6
179.6
10
D
111.3
111.89
11
S
165.0
159.65
12
T
43.1
42.93
13
D
64.4
65.46
14
Q
23.3
23.5
17
S
157.4
159.7
18
S
110.6
113.3
19
D
70.6
72.8
21
D
81.8
82.9
22
T
61.5
63.9
24
D
70.4
72.8
26
D
75.7
78.6
28
D
72.6
73.9
30
S
167.7
167.3
32
D
114.8
115.13
33
D
146.5
147.17
34
S
127.6
127.63
35
D
122.9
121.95
36
D
116.3
116.28
37
S
149.3
149.0
39
S
146.8
145.74
41
D
115.0
114.95
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
57.60
56.5
3
S
161.90
159.5
4
D
113.10
111.0
5
S
144.30
141.7
6
Q
24.20
22.8
7
S
116.00
115.8
8
S
179.60
178.6
10
D
111.89
111.3
11
S
159.65
165.0
12
T
42.93
43.1
13
D
65.46
64.4
14
Q
23.50
23.3
17
S
159.70
157.4
18
S
113.30
110.6
19
D
72.80
70.6
21
D
82.90
81.8
22
T
63.90
61.5
24
D
72.80
70.4
26
D
78.60
75.7
28
D
73.90
72.6
30
S
167.30
167.7
32
D
115.13
114.8
33
D
147.17
146.5
34
S
127.63
127.6
35
D
121.95
122.9
36
D
116.28
116.3
37
S
149.00
149.3
39
S
145.74
146.8
41
D
114.95
115.0
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