1 H- 15 N HMBC NMR as a tool for rapid identification of isomeric azaindoles: the case of 5F-MDMB-P7AICA.

High frequency of the synthetic cannabinoid receptor agonists (SCRA) emergence renders this group of new psychoactive compounds particularly demanding in terms of detection, identification and responding. Without the available reference material one of the specific problems is differentiation and structure elucidation of constitutional isomers. Herein, we report a simple and efficient flow chart diagram applicable for a rapid NMR identification and differentiation between azaindoles, 4-, 5-, 6- and 7-azaindole, which is a common structural motif of synthetic cannabinoids. The flow chart diagram is based on 1 H NMR and 1 H-15 N NMR spectra, and to prove the concept it has been tested on 5F-MDMB-P7AICA (1). Spectral and analytical data including standard 1D and 2D NMR spectra, GC-MS, FTIR-ATR, Raman, melting point, and combustion analysis are provided for compound 1.