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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
2
T
67.84
65.85
3
S
71.41
79.6
5
S
90.74
96.6
6
S
85.11
87.97
7
S
115.43
114.78
8
D
125.24
125.46
9
D
107.91
110.96
10
S
148.61
147.97
11
S
147.03
147.23
12
D
112.20
112.52
14
T
102.55
101.34
16
T
44.68
39.81
17
S
130.56
126.7
18
D
123.92
127.01
19
D
108.74
108.47
20
S
146.29
146.58
21
S
147.74
147.42
22
D
110.79
109.89
24
T
100.99
101.46
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
2
T
65.85
67.84
3
S
79.60
71.41
5
S
96.60
90.74
6
S
87.97
85.11
7
S
114.78
115.43
8
D
125.46
125.24
9
D
110.96
107.91
10
S
147.97
148.61
11
S
147.23
147.03
12
D
112.52
112.2
14
T
101.34
102.55
16
T
39.81
44.68
17
S
126.70
130.56
18
D
127.01
123.92
19
D
108.47
108.74
20
S
146.58
146.29
21
S
147.42
147.74
22
D
109.89
110.79
24
T
101.46
100.99
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