THE PREDICTION OF THE F-19 NMR-SPECTRA OF FLUOROARENES USING STATISTICAL SUBSTITUENT CHEMICAL-SHIFT VALUES

F-19 NMR data for fluoroarenes from a previous publication (Nanney et al., J. Fluorine Chem., 64 (1993) 217) together with additional available literature data and some new data have been analyzed using a new method which determines substituent chemical shifts (SCS) statistically. This new technique and over 400 of these 'statistical' SCS values (SSCS values) are reported, having been computed from a data base of 1961 signals. When these values are used to predict the signal position they are found to give a correlation coefficient of predicted versus observed values of 0.995 with a standard deviation of 2.46.