chemical shift

Peculiarities of NMR 13C spectra of benzoic acid and saturated alkylbenzoates. I. Chemical shift of benzoyl fragment hydrocarbon atoms

It has been shown that chemical shift of 5 types of carbon nuclei of benzoyl fragment in saturated alkylbenzoates depends upon alkyl radical degree of branching near α-carbon atom of alkoxyl group. Typical values of chemical shifts of five nuclei for primary, secondary and tertiary alkylbenzoates have been admitted

Effect of Substituent Geometrical Parameters on the Chemical Shifts of Ortho- and Meta-Protones in 1H NMR-Spectra of Monosubstituted Benzenes

Spectral (NMR 1H) parameters of phenyl ring protons in 26 monosubstituted benzenes C6H5-Y, including benzene, have been investigated. The values of ortho-, meta- and para-protons chemical shifts, as well as differences between the values of mentioned protons absorption have been analyzed by analytical and graphical ways. The concept of ideal plots for three types of phenyl protons and substituent “voluminosity” has been introduced. The dependence of voluminosity on substituent chemical structure and influence of voluminosity on the chemical shift of ortho-protons signals were shown.