Abstract: The structure and configuration of N, N′-didodecylacetamidinium bicarbonate were determined by ¹H-, ¹³C-, and various two dimensional nuclear magnetic resonance spectroscopy, including gCOSY (homonuclear correlation spectroscopy), gHSQC (¹H-detected heteronuclear single quantum coherence) and gHMBC (¹H-detected heteronuclear multiple-bond coherence). The ¹H and ¹³C chemical shifts were assigned. Effects of temperature and solvents of different polarity (CDCl₃ and DMSO-d₆) on the ratio of different configuration were also investigated. The compound was shown to have two configurations in CDCl₃, A[E, Z] and B[E, E], and the portion of B[E, E] isomer increased with the temperature. Only the A[E, Z] isomer existed in the DMSO-d₆ solution.

Key words: nuclear magnetic resonance, amidinium bicarbonate, solvent, configuration