Relationship between the OH radical rate constants of organic compounds in gaseous phase and their chemical shifts in 1H- and 13C-NMR spectroscopy

The OH reaction rate constants of n-alkanes, cycloalkanes, branched alkanes, n-alcohols, n-esters and n-ethers in the gaseous phase have been correlated with their ¹H- and ¹³C-NMR data. In contrast to other physico-chemical properties, the nuclear magnetic resonance data are suitable values for the estimation of the OH reactivity of organic compounds, because they can be simply and rapidly determinated.