The Use of Single Crystal X-Ray Diffraction Technique for Characterization of 25I-NBOMe and 25R-NBOH (R = Cl, I, Br, Et) in Forensic Application
Journal of the Brazilian Chemical Society January 1, 2023 Maria Lucena, Karen Lopes, Alejandro Ayala et al.
New psychoactive substances (NPS) are created to evade drug regulations, and early warning systems (EWS) help detect them. Since August 2021, Brazil has been establishing a national EWS. Forensic laboratories play a key role by using reliable analytical techniques to identify NPS. This work used single-crystal X-ray diffraction (XRD) to determine the molecular structures of 25R-NBOH and 25I-NBOMe from seized blotter paper. XRD also helped create reference data for FTIR and mass spectrometry databases. The results showed that molecular structure methods are essential for unambiguous NPS identification and that XRD has potential as a reference method in forensic analysis.