Methylone and pentylone: structural analysis of new psychoactive substances

ConclusionVibrational circular dichroism spectroscopy seems to be the best of the methods employed to distinguish structurally similar chiral substances, especially in combination with quantum chemical calculations. According to the structural analysis, 5 and 9 stable conformers of methylone and pentylone, respectively, were revealed in an aqueous solution. Finally, very good agreement between the experimental and simulated spectra was achieved.
Source: Forensic Toxicology - Category: Forensic Medicine Source Type: research