IDENTIFICATION OF ALKYL-AROMATIC ESTERS AND PHENYL-KETONES BY METHOD OF NEAR INFRARED SPECTROSCOPY

Abstract

Bands characterizing the carbon content in alkyl (7177-7205 cm^{- 1} ) and phenyl (9175-9192 cm^{- 1} ) structural fragments of individual organic compounds were revealed by studying the absorption spectra in the near infrared region 6510-9510 cm^{- 1} . It was found that the dependence of the optical density in the maxima of these absorption bands on the fraction of carbon atoms in the corresponding fragments of molecules has direct character with a strong correlation link. The developed models were proved to be adequate for evaluation of carbon atoms quantity in alkyl-aromatic ethers and phenyl-ketones. The possibility of modeling of the alkyl aromatic esters molecular structure using the obtained regression models was demonstrated on the example of the condensation product of oleic acid and benzyl alcohol synthesized in the laboratory.