spectral parameter

Interaction between Molecule Fragments Unbound by Chemical Bonds through the Space during NMR 1H Spectra Registration

The chemical shifts in NMR 1H spectra of the para-substituted propylbenzens by the general formula:  p-X-C6H4-CRR1CH2CH3 (where R, R1 = H, CH3) have been analyzed. The presence or absence of the aryl fragment influence on the methyl end-group was observed by the value of the basic spectral parameters – the chemical shifts of methyl protons (δСН3Н) in comparison with analogous data of corresponding alkanes. The specific criteria for identifying such effect were developed and validated.