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Details
This molecule without stereoconfiguration:
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
T
107.33
107.6
2
S
147.55
145.7
3
T
37.36
38.3
4
T
26.44
25.65
5
D
56.04
56.04
6
S
38.92
38.4
7
Q
17.52
15.1
8
T
38.96
39.34
9
T
20.12
18.23
10
T
38.54
38.54
11
S
45.38
44.24
12
Q
16.54
28.8
13
S
182.41
182.37
16
D
58.50
52.81
17
T
59.55
63.96
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
T
107.60
107.33
2
S
145.70
147.55
3
T
38.30
37.36
4
T
25.65
26.44
5
D
56.04
56.04
6
S
38.40
38.92
7
Q
15.10
17.52
8
T
39.34
38.96
9
T
18.23
20.12
10
T
38.54
38.54
11
S
44.24
45.38
12
Q
28.80
16.54
13
S
182.37
182.41
16
D
52.81
58.5
17
T
63.96
59.55
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