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This molecule with other stereoconfigurations:


Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1 Q 51.60 51.7
3 S 169.13 167.41
5 D 119.86 115.3
6 D 144.10 144.5
7 S 128.01 127.73
8 D 133.39 130.66
9 D 114.98 114.72
10 S 161.00 161.0
12 T 64.93 66.42
13 D 123.39 121.4
14 S 137.96 132.4
15 Q 17.01 16.1
16 T 47.73 48.63
17 D 65.51 66.7
19 D 126.23 127.8
20 S 135.20 135.7
21 Q 19.98 22.4
22 Q 20.54 22.4
23 D 114.98 114.72
24 D 133.39 130.66





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 51.70 51.6
3 S 167.41 169.13
5 D 115.30 119.86
6 D 144.50 144.1
7 S 127.73 128.01
8 D 130.66 133.39
9 D 114.72 114.98
10 S 161.00 161.0
12 T 66.42 64.93
13 D 121.40 123.39
14 S 132.40 137.96
15 Q 16.10 17.01
16 T 48.63 47.73
17 D 66.70 65.51
19 D 127.80 126.23
20 S 135.70 135.2
21 Q 22.40 19.98
22 Q 22.40 20.54
23 D 114.72 114.98
24 D 130.66 133.39






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