title: Disentangling Complex Mixtures of Compounds with Near-Identical (1) H and (13) C NMR Spectra using Pure Shift NMR Spectroscopy.
abstract: The thorough analysis of highly complex NMR spectra using pure shift NMR experiments is described. The enhanced spectral resolution obtained from modern 2D HOBS experiments incorporating spectral aliasing in the (13) C indirect dimension enables the distinction of similar compounds exhibiting near-identical (1) H and (13) C NMR spectra. It is shown that a complete set of extremely small Δδ((1) H) and Δδ((13) C) values, even below the natural line width (1 and 5 ppb, respectively), can be simultaneously determined and assigned.
authors.affiliation: Servei de RMN and Departament de Química, Universitat Autònoma de Barcelona, 08193 Bellaterra, Barcelona (Spain).
authors.forename: Laura
authors.initials: L
authors.lastname: Castañar
authors.forename: Raquel
authors.initials: R
authors.lastname: Roldán
authors.forename: Pere
authors.initials: P
authors.lastname: Clapés
authors.forename: Albert
authors.initials: A
authors.lastname: Virgili
authors.forename: Teodor
authors.initials: T
authors.lastname: Parella
mesh_terms: D002247:Carbon Isotopes / Q000032:analysis; D045424:Complex Mixtures / Q000737:chemistry*; D006859:Hydrogen / Q000032:analysis; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D013237:Stereoisomerism
chemical_list: D002247:Carbon Isotopes; D045424:Complex Mixtures; D006859:Hydrogen
keywords: NMR spectroscopy; homodecoupling; mixture analysis; pure shift NMR; spectral aliasing