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Details
This molecule with other stereoconfigurations:
acd_lotusv7/
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
56.27
56.32
3
D
78.07
78.07
4
D
120.93
120.93
5
S
146.25
146.25
6
D
39.58
39.58
7
T
21.11
21.11
8
T
28.52
28.52
9
D
74.78
74.78
11
S
42.34
42.34
12
Q
27.38
27.38
13
Q
26.25
26.25
14
S
34.83
34.83
15
Q
27.50
27.5
16
T
33.80
33.8
17
T
31.22
31.22
18
S
45.93
45.93
19
Q
15.40
15.4
20
D
50.04
50.04
21
D
36.11
36.81
22
Q
18.74
18.74
23
T
39.60
39.6
24
D
125.60
125.6
25
D
140.15
140.15
26
S
70.95
70.95
27
Q
30.00
30.0
28
Q
30.00
30.0
30
T
27.44
27.44
31
T
35.09
35.09
32
S
48.49
48.49
33
Q
19.36
19.36
34
D
49.20
49.2
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
56.32
56.27
3
D
78.07
78.07
4
D
120.93
120.93
5
S
146.25
146.25
6
D
39.58
39.58
7
T
21.11
21.11
8
T
28.52
28.52
9
D
74.78
74.78
11
S
42.34
42.34
12
Q
27.38
27.38
13
Q
26.25
26.25
14
S
34.83
34.83
15
Q
27.50
27.5
16
T
33.80
33.8
17
T
31.22
31.22
18
S
45.93
45.93
19
Q
15.40
15.4
20
D
50.04
50.04
21
D
36.81
36.11
22
Q
18.74
18.74
23
T
39.60
39.6
24
D
125.60
125.6
25
D
140.15
140.15
26
S
70.95
70.95
27
Q
30.00
30.0
28
Q
30.00
30.0
30
T
27.44
27.44
31
T
35.09
35.09
32
S
48.49
48.49
33
Q
19.36
19.36
34
D
49.20
49.2
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