Related Experiment Video
Updated: Jun 10, 2026

One-pot Microwave-assisted Conversion of Anomeric Nitrate-esters to Trichloroacetimidates
Published on: January 15, 2018
Spectrometric studies and theoretical calculations of some beta-ketonitriles
Danila Ruiz1, Juan Giussi, Alberto Albesa
1Laboratorio LADECOR, División Química Orgánica, Departamento de Química, Facultad de Ciencias Exactas, Universidad Nacional de La Plata, Calle 47 y 115, (1900) La Plata, Buenos Aires, Argentina.
Abstract:
The tautomerism of some beta-ketonitriles is investigated by the analysis of their mass spectra and theoretical calculations performed at the MP2/6-31G(d,p) level. The mass spectra of some beta-ketonitriles can provide valuable information regarding the keto-enol and nitrile-ketenimine equilibria taking place in the gas phase. The predictive value of this methodology is supported by the influence of the nature and size of substituents on tautomeric equilibria and the rather good correlation existing between the abundance ratios of selected fragments. Results show that the tautomeric equilibria of these bifunctional compounds can be evaluated by mass spectrometry.
Related Concept Videos
NMR Spectroscopy and Mass Spectrometry of Aldehydes and Ketones
IR and UV–Vis Spectroscopy of Aldehydes and Ketones
Mass Spectrum: Interpretation
¹H NMR: Complex Splitting
Splitting diagrams or splitting tree diagrams are routinely used to depict such complex couplings. While drawing splitting diagrams, the splitting with the larger coupling constant is usually applied first.
Spectroscopy of Carboxylic Acid Derivatives
In the...
Mass Spectrometry of Amines

