Vibrational [FT-IR, FT-Raman] analysis, NMR and mass - Spectroscopic investigation on 3,6-Dimethylphenanthrene using computational calculation

The mass spectroscopic tool is used for identifying the molecular formula by cleavage fragmentation. The molecule fragmentation view and the recorded mass spectrum of the present compound are shown in figure. Highly branched substances undergo fragmentation very easily. The separations of molecular ions with respect to their mass of the base and substitution of the 3,6-Dimethylphenanthrene are observed as peaks in the spectrum. The observed abundance of the suspected molecular ion must be corresponding to expectations based on the assumed molecule structure. The possible fragmentation is quite impressive and assigned according to the observed peaks in spectrum. The formula for present compound is deduced from the molecular mass separation with appropriate mass. Thus, the molecular structure is approved by the mass separation.