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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
14.11
13.97
2
T
22.63
22.15
3
T
31.75
31.1
4
T
29.30
29.65
5
T
29.73
29.4
6
T
25.25
25.4
7
T
33.20
33.2
8
D
80.60
80.7
9
T
36.26
35.7
10
D
127.50
126.5
11
D
130.60
130.7
12
T
28.30
27.8
13
T
36.22
35.64
14
S
172.20
172.29
17
T
40.20
44.65
18
S
133.00
131.14
19
D
122.60
123.2
21
S
61.40
62.81
23
D
62.40
57.7
24
D
68.30
74.52
26
S
170.20
170.1
27
Q
20.90
21.3
29
T
21.40
28.97
30
T
34.90
37.45
31
S
200.70
205.06
34
Q
56.35
55.4
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
13.97
14.11
2
T
22.15
22.63
3
T
31.10
31.75
4
T
29.65
29.3
5
T
29.40
29.73
6
T
25.40
25.25
7
T
33.20
33.2
8
D
80.70
80.6
9
T
35.70
36.26
10
D
126.50
127.5
11
D
130.70
130.6
12
T
27.80
28.3
13
T
35.64
36.22
14
S
172.29
172.2
17
T
44.65
40.2
18
S
131.14
133.0
19
D
123.20
122.6
21
S
62.81
61.4
23
D
57.70
62.4
24
D
74.52
68.3
26
S
170.10
170.2
27
Q
21.30
20.9
29
T
28.97
21.4
30
T
37.45
34.9
31
S
205.06
200.7
34
Q
55.40
56.35
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