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Details
This molecule without stereoconfiguration:
This molecule with other stereoconfigurations:
Spectral Data
Additional Data
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Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
Q
53.10
53.1
3
S
155.80
153.4
6
S
128.30
131.12
7
S
149.30
146.5
9
Q
56.00
56.79
10
D
112.00
113.93
11
D
125.10
123.0
12
D
113.16
122.83
13
S
144.33
133.34
14
S
56.44
58.4
15
T
39.52
37.2
16
T
50.65
51.33
18
T
47.55
49.55
19
T
29.85
29.5
20
D
70.83
76.48
22
S
39.36
40.51
23
T
20.79
35.15
24
T
19.05
30.18
25
S
76.88
68.15
26
S
80.69
75.24
28
S
171.28
175.08
31
Q
52.00
53.12
32
D
81.22
82.6
34
D
63.84
65.33
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
53.10
53.1
3
S
153.40
155.8
6
S
131.12
128.3
7
S
146.50
149.3
9
Q
56.79
56.0
10
D
113.93
112.0
11
D
123.00
125.1
12
D
122.83
113.16
13
S
133.34
144.33
14
S
58.40
56.44
15
T
37.20
39.52
16
T
51.33
50.65
18
T
49.55
47.55
19
T
29.50
29.85
20
D
76.48
70.83
22
S
40.51
39.36
23
T
35.15
20.79
24
T
30.18
19.05
25
S
68.15
76.88
26
S
75.24
80.69
28
S
175.08
171.28
31
Q
53.12
52.0
32
D
82.60
81.22
34
D
65.33
63.84
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