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Details
This molecule without stereoconfiguration:
This molecule with other stereoconfigurations:
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
T
108.64
112.0
2
D
149.57
147.5
3
S
36.55
36.5
4
Q
24.26
28.3
5
T
38.05
36.1
6
T
17.28
17.4
7
D
57.77
56.2
8
S
36.99
37.0
9
Q
14.17
15.5
10
T
37.78
37.8
11
T
27.19
27.2
12
D
79.07
79.1
14
S
38.92
38.9
15
Q
24.06
23.95
16
Q
22.38
23.95
17
D
55.55
55.6
18
T
17.69
17.8
19
T
42.78
42.0
20
S
72.32
72.3
22
T
49.39
53.4
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
T
112.00
108.64
2
D
147.50
149.57
3
S
36.50
36.55
4
Q
28.30
24.26
5
T
36.10
38.05
6
T
17.40
17.28
7
D
56.20
57.77
8
S
37.00
36.99
9
Q
15.50
14.17
10
T
37.80
37.78
11
T
27.20
27.19
12
D
79.10
79.07
14
S
38.90
38.92
15
Q
23.95
24.06
16
Q
23.95
22.38
17
D
55.60
55.55
18
T
17.80
17.69
19
T
42.00
42.78
20
S
72.30
72.32
22
T
53.40
49.39
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