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Details
This molecule with some stereoconfiguration:
Spectral Data
Additional Data
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Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
Q
21.3
21.01
2
S
169.9
169.84
5
D
73.4
79.17
6
D
48.7
41.28
7
D
37.5
46.1
8
T
26.1
21.81
9
S
149.2
156.97
11
D
141.3
141.21
12
D
108.5
109.96
13
S
126.6
131.65
14
S
72.0
70.2
15
Q
25.0
25.04
17
S
55.8
52.48
18
Q
16.5
17.45
19
S
211.8
209.92
21
T
35.7
35.5
22
T
40.0
36.11
23
S
39.1
38.9
24
Q
30.2
26.75
25
Q
25.2
26.75
26
S
83.2
75.9
28
D
75.5
70.1
30
S
170.4
169.8
31
Q
21.7
20.7
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
21.01
21.3
2
S
169.84
169.9
5
D
79.17
73.4
6
D
41.28
48.7
7
D
46.10
37.5
8
T
21.81
26.1
9
S
156.97
149.2
11
D
141.21
141.3
12
D
109.96
108.5
13
S
131.65
126.6
14
S
70.20
72.0
15
Q
25.04
25.0
17
S
52.48
55.8
18
Q
17.45
16.5
19
S
209.92
211.8
21
T
35.50
35.7
22
T
36.11
40.0
23
S
38.90
39.1
24
Q
26.75
30.2
25
Q
26.75
25.2
26
S
75.90
83.2
28
D
70.10
75.5
30
S
169.80
170.4
31
Q
20.70
21.7
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