PROTON MAGNETIC RESONANCE OF XYLO-3, 4, 5, 6-TETRAACETOXY-TRANS-1-NITRO-1-HEXENE AT 60, 100, AND 220 MCPS - A 7-SPIN ANALYSIS

The PMR spectrum of the title compound was examined at three field strengths. Two of the protons (H6, H7) clearly exhibited peaks, shoulders, and combination bands not expected on first-order grounds. These are explained first in terms of an ABMRX analysis, and a brief general discussion is given of the ABMRX system. The parameters for the full seven-spin system were then refined by iterative methods on a computer, and also simulated on a graph-plotter. Good agreement was found between results at different field strengths. Four 4-bond couplings were observed. The significance of correlation coefficients between parameters, and the use of the Jacobian matrix is also discussed. © 1969.