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This molecule without stereoconfiguration:

This molecule with other stereoconfigurations:


General   ChiuZ/Chloroform-D1 (CDCl3)  
Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ChiuZ
Prediction 1
hose_lotusv7
1 Q 19.82 25.717.73
2 S 131.38 131.9131.9
3 D 124.76 124.4124.55
4 T 22.94 22.822.85
5 T 42.06 42.142.25
6 S 73.81 73.573.34
7 D 144.84 145.1145.22
8 T 111.74 111.7111.7
9 Q 20.12 17.725.72
10 Q 27.63 27.927.83





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ChiuZ
Prediction 1
acd_lotusv7
1 Q 17.73 25.719.82
2 S 131.90 131.9131.38
3 D 124.55 124.4124.76
4 T 22.85 22.822.94
5 T 42.25 42.142.06
6 S 73.34 73.573.81
7 D 145.22 145.1144.84
8 T 111.70 111.7111.74
9 Q 25.72 17.720.12
10 Q 27.83 27.927.63






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