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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
28.74
26.2
2
S
40.01
38.6
3
Q
25.26
26.2
4
T
31.06
35.1
5
T
26.60
27.35
6
D
73.05
76.31
8
S
47.20
48.25
9
Q
17.79
12.21
10
D
33.52
46.1
11
T
21.77
21.81
12
S
152.65
152.74
14
D
142.08
142.1
15
D
108.47
107.69
16
S
114.57
114.18
17
D
41.97
41.44
18
S
175.56
175.13
21
D
81.81
77.23
22
T
30.23
43.6
23
S
83.39
78.1
25
D
45.35
40.9
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
26.20
28.74
2
S
38.60
40.01
3
Q
26.20
25.26
4
T
35.10
31.06
5
T
27.35
26.6
6
D
76.31
73.05
8
S
48.25
47.2
9
Q
12.21
17.79
10
D
46.10
33.52
11
T
21.81
21.77
12
S
152.74
152.65
14
D
142.10
142.08
15
D
107.69
108.47
16
S
114.18
114.57
17
D
41.44
41.97
18
S
175.13
175.56
21
D
77.23
81.81
22
T
43.60
30.23
23
S
78.10
83.39
25
D
40.90
45.35
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