Assignment of photoelectron spectra of the 2-allylphenol with the help of electron propagator theory

► Four conformers of 2-allylphenol were studied. ► The ionization energies of 2-allylphenol were calculated. ► We reassigned the weak experimental ionization band at 9.72 eV is from the next stable conformer IIb. ► The differences of the πCC orbital ionization energies of conformers were explained.