title: Complete1H,13C{1H}, and31P NMR spectral parameters of some pyrophosphates.
abstract: The1H,13C{1H}, and31P NMR spectral parameters of some pyrophosphates were determined in CDCl3. The most complicated1H spectrum can be solved fully only as (A3MN)R6XX'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.
authors.affiliation: Department of Organic Chemistry, University of Jyväskylä, FIN-40500, Finland.
authors.forename: Esa
authors.identifier: http://orcid.org/0000-0001-8956-2605
authors.initials: E
authors.lastname: Haapaniemi
keywords: 13C{1H}; 1H; 31P; NMR; iterative spectral analysis; molecular modeling; pyrophosphates