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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
T
111.60
114.4
2
D
140.90
133.3
3
S
136.70
133.7
4
Q
12.10
20.3
5
D
128.95
126.3
6
T
30.89
28.7
7
S
38.32
38.5
8
Q
24.71
25.0
9
D
39.20
41.3
10
T
28.07
26.1
11
D
69.03
66.0
13
S
176.33
175.8
15
D
41.30
41.1
16
Q
16.70
16.6
17
T
27.20
27.0
18
Q
11.70
12.25
19
D
123.05
124.1
20
S
145.18
144.3
21
D
95.50
96.0
23
S
170.00
170.63
24
Q
20.64
21.19
27
D
98.45
96.9
29
S
169.20
170.51
30
Q
21.90
21.41
32
S
53.55
53.5
33
D
73.70
74.0
35
T
37.25
37.6
36
T
37.25
36.8
37
Q
16.13
15.6
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
T
114.40
111.6
2
D
133.30
140.9
3
S
133.70
136.7
4
Q
20.30
12.1
5
D
126.30
128.95
6
T
28.70
30.89
7
S
38.50
38.32
8
Q
25.00
24.71
9
D
41.30
39.2
10
T
26.10
28.07
11
D
66.00
69.03
13
S
175.80
176.33
15
D
41.10
41.3
16
Q
16.60
16.7
17
T
27.00
27.2
18
Q
12.25
11.7
19
D
124.10
123.05
20
S
144.30
145.18
21
D
96.00
95.5
23
S
170.63
170.0
24
Q
21.19
20.64
27
D
96.90
98.45
29
S
170.51
169.2
30
Q
21.41
21.9
32
S
53.50
53.55
33
D
74.00
73.7
35
T
37.60
37.25
36
D
36.80
37.25
37
Q
15.60
16.13
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