PeakAL: Protons I Have Known and Loved - Fifty Shades of Grey-Market Spectra. Supplementary Data
OpenAlex – August 01, 2015
Source: OpenAlex
Summary
A striking 1H NMR analysis of 28 psychedelic phenylethanamines from 15 grey-market vendors revealed unique spectral lines for many compounds. Among these, eleven were para-substituted 2,5-dimethoxyphenylethanamines, while four were mescaline analogues. Notably, two β-substituted and ten N-substituted phenylethanamines with diverse amine moieties were included. This study expands the NMR spectra database, providing valuable insights for chemistry and materials science, and highlights the potential applications of machine learning and big data in analyzing complex chemical structures.
Abstract
1H NMR spectra of 28 alleged psychedelic phenylethanamines from 15 grey-market internet vendors across North America and Europe were acquired and compared. Members from each of the principal phenylethanamine families were analyzed: eleven para-substituted 2,5-dimethoxyphenylethanamines (the 2C and 2C-T series); four para-substituted 3,5-dimethoxyphenylethanamines (mescaline analogues); two β-substituted phenylethanamines; and ten N-substituted phenylethanamines with a 2-methoxybenzyl (NBOMe), 2-hydroxybenzyl (NBOH), or 2,3-methylenedioxybenzyl (NBMD) amine moiety. 1H NMR spectra for some of these compounds have not been previously reported to our knowledge. Others have reported on the composition of