IR and NMR Correlations for 3-x and 4-x Substituted Anilines

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Infrared (IR) and/or Nuclear Magnetic Resonance (NMR) carbon-13 data are presented for 3-x and 4-x substituted anilines. Correlations are presented for the δ13C-1 chemical shift vs. Hammett σ p and σm values, νasym.NH2 vs. δ13C-1, νsym.NH2 vs. δ13C-1, δ13C-1 vs. νasym.NH2, δ13C-1 vs. the absorbance ratio A(νasym.NH2/Asym.NH2), and δ13C-1 vs. Taft σ R °. The IR data for these compounds are recorded in the vapor phase, and in hexane, carbon tetrachloride, and chloroform solutions. The NMR chemical shift data for these compounds in solution with chloroform were obtained with the use of tetramethylsilane as the δ13C resonance reference frequency.

Keywords: Chemical shift for SC-1 of 3-x and 4-x aniline; Infrared; NH2 IR Group Frequencies; NMR; Solvent studies

Document Type: Research Article


Affiliations: Analytical Sciences Laboratory, 1897F Building, Dow Chemical Company, Midland, Michigan 48667

Publication date: April 1, 1993

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