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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
14.50
17.06
2
D
49.00
36.74
3
D
207.00
202.4
5
D
42.80
43.82
6
T
23.70
28.14
7
T
40.00
42.0
8
S
43.00
40.4
9
Q
24.92
22.98
10
T
35.30
30.33
11
T
29.42
27.5
12
S
40.76
42.34
13
Q
14.40
14.88
14
D
37.17
38.48
15
T
29.05
26.54
16
T
23.05
21.4
17
D
51.22
49.6
18
S
35.89
36.9
19
Q
16.06
15.85
20
T
34.33
39.64
21
T
34.51
34.14
22
S
218.20
217.79
24
S
48.23
47.4
25
Q
26.98
23.85
26
Q
24.99
23.85
27
D
55.90
55.0
28
T
19.67
19.6
29
T
33.60
33.5
30
S
40.24
41.89
31
Q
15.80
16.13
32
D
49.12
49.2
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
17.06
14.5
2
D
36.74
49.0
3
D
202.40
207.0
5
D
43.82
42.8
6
T
28.14
23.7
7
T
42.00
40.0
8
S
40.40
43.0
9
Q
22.98
24.92
10
T
30.33
35.3
11
T
27.50
29.42
12
S
42.34
40.76
13
Q
14.88
14.4
14
D
38.48
37.17
15
T
26.54
29.05
16
T
21.40
23.05
17
D
49.60
51.22
18
S
36.90
35.89
19
Q
15.85
16.06
20
T
39.64
34.33
21
T
34.14
34.51
22
S
217.79
218.2
24
S
47.40
48.23
25
Q
23.85
26.98
26
Q
23.85
24.99
27
D
55.00
55.9
28
T
19.60
19.67
29
T
33.50
33.6
30
S
41.89
40.24
31
Q
16.13
15.8
32
D
49.20
49.12
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