Abstract: The chemical structure of one seized yellow powder sample was elucidated by fourier transform infrared spectroscopy (FTIR) , gas chromatography-mass spectrometry (GC-MS), ultra-performance liquid chromatography-high resolution mass spectrometry (UPLC-HRMS) and nuclear magnetic resonance (NMR).The yellow powder was identified as N,N-diethylethan-2-(2-(4-ethoxyphenethyl)-5-nitro-1H-benzo[d]imidazol-1-yl)-1-amine, and named as phenylethyl etonitazene for short. It is a nitazene type new psychoactive substance (NPS), which has not been controlled in China. The characteristic absorption peaks in IR spectrum and product ions in MS spectra were discussed. The ¹H and ¹³C NMR signals of phenylethyl etonitazene were assigned, supported by its two-dimensional NMR signals. The providing information will assist forensic science laboratories in identifying this compound or other substances with similar structure in their case work.

Key words: new psychoactive substances, nitazenes, nuclear magnetic resonance (NMR), mass spectrometry, infrared absorption spectroscopy, structural elucidation