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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
Q
10.30
13.6
2
S
117.10
114.05
3
S
146.10
151.11
5
S
178.40
177.34
7
D
119.80
128.23
8
S
164.70
148.81
9
S
127.80
128.7
10
D
133.50
129.76
11
D
118.10
129.76
12
S
168.60
171.5
13
S
44.70
42.21
14
Q
19.70
23.8
15
T
28.50
25.1
16
T
35.47
37.31
17
S
38.20
34.76
18
Q
28.17
22.98
19
T
52.50
49.3
20
S
213.50
208.64
22
D
41.90
42.2
23
Q
15.10
14.57
24
T
32.10
35.74
25
D
43.60
49.63
26
S
40.56
37.1
27
Q
21.60
18.88
28
T
30.00
29.65
29
T
33.80
35.15
30
S
42.70
40.51
31
Q
39.10
24.56
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
13.60
10.3
2
S
114.05
117.1
3
S
151.11
146.1
5
S
177.34
178.4
7
D
128.23
119.8
8
S
148.81
164.7
9
S
128.70
127.8
10
D
129.76
133.5
11
D
129.76
118.1
12
S
171.50
168.6
13
S
42.21
44.7
14
Q
23.80
19.7
15
T
25.10
28.5
16
T
37.31
35.47
17
S
34.76
38.2
18
Q
22.98
28.17
19
T
49.30
52.5
20
S
208.64
213.5
22
D
42.20
41.9
23
Q
14.57
15.1
24
T
35.74
32.1
25
D
49.63
43.6
26
S
37.10
40.56
27
Q
18.88
21.6
28
T
29.65
30.0
29
T
35.15
33.8
30
S
40.51
42.7
31
Q
24.56
39.1
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