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Details
This molecule without stereoconfiguration:
This molecule with other stereoconfigurations:
Spectral Data
Additional Data
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Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
T
111.11
108.76
2
S
157.13
153.72
3
D
74.56
81.8
5
S
170.15
170.08
6
Q
21.00
21.07
8
T
35.73
38.19
9
D
47.78
48.97
10
T
45.25
39.6
11
S
49.46
40.04
12
Q
25.05
22.98
13
T
40.24
35.74
14
T
42.82
33.75
15
S
43.53
40.4
16
Q
31.90
26.85
17
Q
28.42
26.85
18
D
65.83
45.44
19
S
86.99
84.22
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
T
108.76
111.11
2
S
153.72
157.13
3
D
81.80
74.56
5
S
170.08
170.15
6
Q
21.07
21.0
8
T
38.19
35.73
9
D
48.97
47.78
10
T
39.60
45.25
11
S
40.04
49.46
12
Q
22.98
25.05
13
T
35.74
40.24
14
T
33.75
42.82
15
S
40.40
43.53
16
Q
26.85
31.9
17
Q
26.85
28.42
18
D
45.44
65.83
19
S
84.22
86.99
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