The use of symmetric variables in the prediction of the NMR chemical shift positions of nitrogen for derivatives of ammonia

Abstract

An equation which uses symmetric variables composed of the Field (F), Resonance (R), Charton's Steric (ν), and Molar Reflectivity (MR) parameters has been computed. It predicts the nitrogen NMR line positions for derivatives of ammonia. Using this model, the correlation coefficient for observed versus predicted signal positions for a data base of 479 signals was r = 0.985 with a standard deviation of s = 7.5.