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Details
This molecule with some stereoconfiguration:
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
Q
17.3
17.25
2
D
30.2
30.45
3
T
28.8
29.05
4
T
32.1
31.65
5
S
109.8
110.2
7
T
66.7
66.9
9
D
90.0
89.9
10
T
31.8
35.0
11
D
53.1
48.4
12
D
32.4
32.0
13
T
32.1
32.2
14
D
121.0
121.39
15
S
141.9
140.84
16
T
43.5
42.4
17
D
71.3
71.3
19
D
32.4
31.6
20
T
37.8
37.5
21
S
37.0
36.5
22
Q
19.6
19.4
23
D
50.3
49.9
24
T
21.0
20.8
25
T
32.6
32.7
26
S
44.8
46.5
27
Q
17.2
13.5
28
S
90.1
89.5
30
D
45.2
46.49
31
Q
9.7
19.66
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
17.25
17.3
2
D
30.45
30.2
3
T
29.05
28.8
4
T
31.65
32.1
5
S
110.20
109.8
7
T
66.90
66.7
9
D
89.90
90.0
10
T
35.00
31.8
11
D
48.40
53.1
12
D
32.00
32.4
13
T
32.20
32.1
14
D
121.39
121.0
15
S
140.84
141.9
16
T
42.40
43.5
17
D
71.30
71.3
19
T
31.60
32.4
20
T
37.50
37.8
21
S
36.50
37.0
22
Q
19.40
19.6
23
D
49.90
50.3
24
T
20.80
21.0
25
T
32.70
32.6
26
S
46.50
44.8
27
Q
13.50
17.2
28
S
89.50
90.1
30
D
46.49
45.2
31
Q
19.66
9.7
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