
CAS 41609-04-5: 3-(benzylamino)cyclohex-2-en-1-one
Formula:C13H15NO
InChI:InChI=1/C13H15NO/c15-13-8-4-7-12(9-13)14-10-11-5-2-1-3-6-11/h1-3,5-6,9,14H,4,7-8,10H2
SMILES:c1ccc(cc1)CNC1=CC(=O)CCC1
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3-(Benzylamino)cyclohex-2-en-1-one
CAS:The linear regression for the molecular descriptors was performed using a vector-based algorithm with a correlating function. The correlation coefficients were used to detect outliers, which were then removed from the data set. A genetic algorithm was used to select descriptors and their corresponding weights that best describe the outlier removal process. This method was validated by testing it on a different data set.Formula:C13H15NOPurity:Min. 95%Color and Shape:PowderMolecular weight:201.26 g/mol