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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
T
111.50
111.97
2
D
147.20
145.4
3
S
72.60
73.77
4
Q
28.60
28.04
6
T
36.03
35.39
7
T
28.23
31.9
8
S
38.53
39.3
9
Q
18.62
25.8
10
D
39.51
38.5
11
Q
16.02
16.0
12
T
38.89
38.1
13
D
76.65
73.93
15
S
45.07
45.2
16
Q
21.14
14.79
17
S
141.42
150.76
18
Q
22.45
17.31
19
D
122.90
123.37
20
T
26.93
26.84
21
T
19.78
18.56
22
D
46.62
48.77
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
T
111.97
111.5
2
D
145.40
147.2
3
S
73.77
72.6
4
Q
28.04
28.6
6
T
35.39
36.03
7
T
31.90
28.23
8
S
39.30
38.53
9
Q
25.80
18.62
10
D
38.50
39.51
11
Q
16.00
16.02
12
T
38.10
38.89
13
D
73.93
76.65
15
S
45.20
45.07
16
Q
14.79
21.14
17
S
150.76
141.42
18
Q
17.31
22.45
19
D
123.37
122.9
20
T
26.84
26.93
21
T
18.56
19.78
22
D
48.77
46.62
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