2-Cyanobenzoic Acids: Tautomeric Equilibria Study

Abstract

Evidence of ring–chain tautomerism in the gas phase from mass spectrometry and in solution determined by means of 1H NMR and 13C NMR is reported for 2-cyanobenzoic acids. The analysis of the corresponding spectra has allowed specific assignment of fragment ions to tautomers. The predictive value of this methodology is supported by the influence of the substitution pattern of these compounds on this equilibrium.