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Details
This molecule with other stereoconfigurations:
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
Q
20.19
20.0
2
D
33.30
33.36
3
Q
19.67
20.0
4
D
43.15
43.06
5
Q
18.20
17.66
6
D
132.19
134.37
7
D
136.31
133.93
8
D
40.62
40.62
9
Q
20.62
20.26
10
D
51.05
49.11
11
T
27.18
26.9
12
T
33.68
33.9
13
S
47.73
47.0
14
Q
17.28
18.3
15
D
41.39
40.26
16
T
24.02
20.18
17
T
36.17
35.15
18
T
24.02
24.6
19
T
44.64
42.49
20
D
68.40
69.1
22
T
30.18
31.46
23
T
27.99
35.15
24
S
25.48
24.6
25
T
25.07
25.4
26
S
140.54
149.44
27
D
117.84
118.7
28
T
38.09
37.2
29
S
43.79
44.3
30
Q
15.18
14.3
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
20.00
20.19
2
D
33.36
33.3
3
Q
20.00
19.67
4
D
43.06
43.15
5
Q
17.66
18.2
6
D
134.37
132.19
7
D
133.93
136.31
8
D
40.62
40.62
9
Q
20.26
20.62
10
D
49.11
51.05
11
T
26.90
27.18
12
T
33.90
33.68
13
S
47.00
47.73
14
Q
18.30
17.28
15
D
40.26
41.39
16
T
20.18
24.02
17
T
35.15
36.17
18
S
24.60
24.02
19
T
42.49
44.64
20
D
69.10
68.4
22
T
31.46
30.18
23
T
35.15
27.99
24
S
24.60
25.48
25
T
25.40
25.07
26
S
149.44
140.54
27
D
118.70
117.84
28
T
37.20
38.09
29
S
44.30
43.79
30
Q
14.30
15.18
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