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Dependence of Spectral Parameters in 1H and 13C NMR Spectra of Aromatic Compounds Upon Substituent Spatial-Structural Peculiarities
Published: 04 November 2008 by MDPI in The 12th International Electronic Conference on Synthetic Organic Chemistry session General Organic Synthesis
Abstract: The presence of opposite by ßOH shifts of ortho-protons (downfield, if the substitution takes place in ?-position and upper-field – in ?-position) by the substitution of hydrogen atoms for methyl groups in alkyl chain of alkylbenzenes has been found. The independent influence of both effects at the simultaneous branching near ?- and ?-hydrocarbon atoms of alkyl chain has been determined. The mentioned phenomena has been explained by conformational peculiarities of alkylbenzenes structure.
Keywords: alkylbenzenes, chemical shift, Hammet constant