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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
21.50
21.13
2
S
128.60
128.7
3
D
142.60
142.9
4
T
27.10
26.9
5
T
36.20
32.0
6
D
34.97
36.53
7
Q
18.50
19.46
8
D
51.68
51.92
9
T
28.30
28.3
10
T
34.45
34.0
11
S
51.25
51.2
12
Q
25.50
27.33
13
S
145.70
145.69
14
D
118.00
119.89
15
T
24.10
23.25
16
D
48.85
40.2
17
S
38.78
37.6
18
Q
23.89
25.52
19
Q
22.21
25.52
20
D
76.20
76.25
22
T
26.85
26.75
23
T
35.20
35.9
24
S
35.95
35.45
25
Q
14.90
23.94
26
D
50.00
47.94
27
T
20.20
17.9
28
T
33.75
34.0
29
S
43.40
43.8
30
Q
17.16
21.7
31
S
170.70
171.74
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
21.13
21.5
2
S
128.70
128.6
3
D
142.90
142.6
4
T
26.90
27.1
5
T
32.00
36.2
6
D
36.53
34.97
7
Q
19.46
18.5
8
D
51.92
51.68
9
T
28.30
28.3
10
T
34.00
34.45
11
S
51.20
51.25
12
Q
27.33
25.5
13
S
145.69
145.7
14
D
119.89
118.0
15
T
23.25
24.1
16
D
40.20
48.85
17
S
37.60
38.78
18
Q
25.52
23.89
19
Q
25.52
22.21
20
D
76.25
76.2
22
T
26.75
26.85
23
T
35.90
35.2
24
S
35.45
35.95
25
Q
23.94
14.9
26
D
47.94
50.0
27
T
17.90
20.2
28
T
34.00
33.75
29
S
43.80
43.4
30
Q
21.70
17.16
31
S
171.74
170.7
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