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Details
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
56.00
56.2
3
S
152.80
151.1
4
D
101.90
101.1
5
S
149.90
149.67
6
S
109.60
109.9
7
D
112.30
106.6
8
S
144.90
144.0
10
Q
56.80
56.3
11
S
67.80
66.93
13
S
197.20
192.93
15
S
103.80
107.27
16
S
164.50
163.07
18
D
97.70
100.8
19
S
163.30
159.5
20
S
100.80
107.55
21
S
161.80
154.9
23
D
76.80
76.5
24
T
64.40
61.7
26
D
71.70
75.26
28
Q
60.40
58.8
29
D
72.90
70.4
31
S
80.50
79.4
32
Q
24.75
23.85
33
Q
23.95
23.85
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
56.20
56.0
3
S
151.10
152.8
4
D
101.10
101.9
5
S
149.67
149.9
6
S
109.90
109.6
7
D
106.60
112.3
8
S
144.00
144.9
10
Q
56.30
56.8
11
S
66.93
67.8
13
S
192.93
197.2
15
S
107.27
103.8
16
S
163.07
164.5
18
D
100.80
97.7
19
S
159.50
163.3
20
S
107.55
100.8
21
S
154.90
161.8
23
D
76.50
76.8
24
T
61.70
64.4
26
D
75.26
71.7
28
Q
58.80
60.4
29
D
70.40
72.9
31
S
79.40
80.5
32
Q
23.85
24.75
33
Q
23.85
23.95
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