Hydrogen-nuclear magnetic resonance and mass spectra of the polynitro-benzenes

The ¹H NMR and EI mass spectra of four polynitro-benzenes were discussed. In ¹H NMR the hydrogen in benzene cycle gives a proton peaks at low field due to the effect of the nitro groups. The proton peaks of CH₃ are larger than the normal. Trinitro-p-xylene, dinitro-p-xylene, trinitro-m-xylene and trinitrotri-methylbenzene were recorded by the electron impact source. The fragmentation pathways of these compounds were studied. In these compounds with adjacent CH₃ and NO² groups, important fragmentation sequences are Ortho effect'. Also the cleavage of C-NO₂ bonds and the remainders contain the same ions are major mass spectrometric characters. These indicate the nitro groups are unstable.