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The structure of 4,5-dimethyl-o-phenylenediamine (C 8 H 12 N 2 , DMPDA) was investigated on the basis of spectroscopic data and theoretical calculations. The sterochemical structure was determined by FT-IR, FT-Raman, UV, 1 H and 13 C NMR spectra. An experimental study and a theoretical analysis were associated by using the B3LYP method with Gaussian09 package...
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