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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
Q
55.39
56.18
3
D
78.00
77.45
4
T
27.89
29.94
5
T
50.34
53.01
8
D
70.27
70.55
9
D
136.12
131.5
10
D
120.12
132.2
11
S
167.75
139.27
12
D
108.60
116.2
13
S
172.58
172.62
16
S
83.86
82.54
17
T
37.87
43.2
18
D
62.24
72.55
19
T
26.50
34.83
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
56.18
55.39
3
D
77.45
78.0
4
T
29.94
27.89
5
T
53.01
50.34
8
D
70.55
70.27
9
D
131.50
136.12
10
D
132.20
120.12
11
S
139.27
167.75
12
D
116.20
108.6
13
S
172.62
172.58
16
S
82.54
83.86
17
T
43.20
37.87
18
D
72.55
62.24
19
T
34.83
26.5
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