The 1 H, 13 C{1 H}, and 31 P NMR spectral parameters of some pyrophosphates were determined in CDCl3 . The most complicated 1 H spectrum can be solved fully only as (A3 MN)R6 XX'R6 '(MNA3 )', where R6 (= -N(CH3 )2 ) is coupled only to phosphorus (X). Second-order coupling between phosphorus was found and solved with iterative analysis. A signal shape of one of the carbon resonance cannot be explained only with couplings. Explanation for exceptional shape was searched from molecular modeling results. Copyright © 2017 John Wiley & Sons, Ltd.
Keywords: 13C{1H}; 1H; 31P; NMR; iterative spectral analysis; molecular modeling; pyrophosphates.
Copyright © 2017 John Wiley & Sons, Ltd.