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This molecule without stereoconfiguration:

This molecule with other stereoconfigurations:


Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1 Q 56.07 55.9
3 S 141.92 142.0
4 D 112.38 112.8
5 D 119.30 119.3
6 S 126.90 127.0
7 S 130.98 130.9
8 S 146.43 146.2
10 D 91.53 91.3
11 D 66.52 66.4
13 D 133.42 133.3
14 D 128.17 128.3
15 D 40.51 40.7
16 D 58.72 58.4
17 T 20.34 20.4
19 Q 42.93 42.85
20 T 46.36 46.25
21 T 35.67 35.8
22 S 43.00 43.0




Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 55.90 56.07
3 S 142.00 141.92
4 D 112.80 112.38
5 D 119.30 119.3
6 S 127.00 126.9
7 S 130.90 130.98
8 S 146.20 146.43
10 D 91.30 91.53
11 D 66.40 66.52
13 D 133.30 133.42
14 D 128.30 128.17
15 D 40.70 40.51
16 D 58.40 58.72
17 T 20.40 20.34
19 Q 42.85 42.93
20 T 46.25 46.36
21 T 35.80 35.67
22 S 43.00 43.0





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