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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
12.56
9.62
2
S
118.61
120.55
3
S
164.05
141.84
4
T
29.18
29.6
5
T
41.09
40.3
6
S
45.46
37.86
7
Q
24.26
22.98
8
T
39.23
34.7
9
T
32.97
35.04
10
S
154.82
157.49
11
Q
25.57
25.96
12
D
125.01
132.0
13
S
201.86
200.65
15
T
50.36
47.8
16
D
26.92
27.7
17
Q
20.73
21.1
18
T
42.83
35.18
19
D
73.98
77.45
21
S
167.15
166.14
23
D
54.79
47.91
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
9.62
12.56
2
S
120.55
118.61
3
S
141.84
164.05
4
T
29.60
29.18
5
T
40.30
41.09
6
S
37.86
45.46
7
Q
22.98
24.26
8
T
34.70
39.23
9
T
35.04
32.97
10
S
157.49
154.82
11
Q
25.96
25.57
12
D
132.00
125.01
13
S
200.65
201.86
15
T
47.80
50.36
16
D
27.70
26.92
17
Q
21.10
20.73
18
T
35.18
42.83
19
D
77.45
73.98
21
S
166.14
167.15
23
D
47.91
54.79
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