STUDIES ON AZAINDOLIZINE COMPOUNDS. XVIII. PROTON MAGNETIC RESONANCE SPECTRA OF S-TRIAZOLO-(1,5-A)PYRIMIDINE AND ITS DERIVATIVES.

Proton magnetic resonance spectra of the s-triazolo [1, 5-α] pyrimidine derivatives are recorded to give the positional order of H6>H2>H5>H7 for the ring proton chemical shifts in τ-value. The methyl substituent effect on the proton chemical shifts and the correlation between the proton chemical shift and the local π-electron density on the carbon atom to which the proton is bonded, are discussed. Thus the charge densities determined from proton chemical shifts show a remarkably good correspondence with the charge distributions calculated by the simple Huckel MO method.