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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
13.86
13.44
2
T
25.81
25.86
3
D
135.91
136.54
4
D
129.51
129.63
5
D
131.97
134.09
6
D
132.02
134.09
7
D
130.81
129.9
8
D
134.41
138.84
9
T
32.78
32.61
10
T
29.70
29.4
11
T
29.26
29.4
12
T
28.89
29.23
13
T
29.64
29.52
14
T
29.51
30.86
15
T
23.10
23.55
16
T
36.80
39.14
17
S
80.00
76.73
18
Q
24.85
23.27
19
T
40.30
50.9
20
S
82.40
80.53
21
Q
23.33
23.64
23
S
173.95
175.3
25
T
34.15
37.27
26
D
80.75
77.86
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
13.44
13.86
2
T
25.86
25.81
3
D
136.54
135.91
4
D
129.63
129.51
5
D
134.09
131.97
6
D
134.09
132.02
7
D
129.90
130.81
8
D
138.84
134.41
9
T
32.61
32.78
10
T
29.40
29.7
11
T
29.40
29.26
12
T
29.23
28.89
13
T
29.52
29.64
14
T
30.86
29.51
15
T
23.55
23.1
16
T
39.14
36.8
17
S
76.73
80.0
18
Q
23.27
24.85
19
T
50.90
40.3
20
S
80.53
82.4
21
Q
23.64
23.33
23
S
175.30
173.95
25
T
37.27
34.15
26
D
77.86
80.75
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