The experimental infrared spectrum of 2,6-diisopropylphenol in dilute CCl4 solution displaying absorptions at 3619 (intense) and 3641 cm(-1) (shoulder) in the O-H stretching region cannot be satisfactorily reproduced by two symmetric band components. Ab initio quantum chemical calculations have identified five stable conformers differing in the relative orientations of the two ortho substituents, whereas DFT calculations yielded four different nu OH frequencies for these conformers in agreement with the deconvolution and least-squares curve analysis of the experimental spectrum. The observed spectrum could be successfully simulated by the calculated frequencies and band intensities assigned to the five conformers on the basis of their relative stabilities.