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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
T
124.70
124.34
2
S
135.94
135.43
3
S
169.30
170.15
6
D
73.20
76.85
7
D
128.93
128.41
8
S
134.85
138.4
9
T
68.24
67.2
11
S
169.89
167.5
13
S
128.53
126.9
14
Q
21.65
20.4
15
D
138.95
139.8
16
Q
17.18
15.84
17
T
26.16
34.0
18
T
25.14
24.95
19
D
152.87
130.87
20
S
141.75
141.52
21
D
194.63
193.24
23
T
29.08
32.54
24
D
70.80
72.42
26
S
169.77
170.04
27
Q
20.98
21.24
29
D
47.61
52.78
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
T
124.34
124.7
2
S
135.43
135.94
3
S
170.15
169.3
6
D
76.85
73.2
7
D
128.41
128.93
8
S
138.40
134.85
9
T
67.20
68.24
11
S
167.50
169.89
13
S
126.90
128.53
14
Q
20.40
21.65
15
D
139.80
138.95
16
Q
15.84
17.18
17
T
34.00
26.16
18
T
24.95
25.14
19
D
130.87
152.87
20
S
141.52
141.75
21
D
193.24
194.63
23
T
32.54
29.08
24
D
72.42
70.8
26
S
170.04
169.77
27
Q
21.24
20.98
29
D
52.78
47.61
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