Disentangling Complex Mixtures of Compounds with Near‐Identical 1H and 13C NMR Spectra using Pure Shift NMR Spectroscopy |
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| Authors: | Laura Castañar Raquel Roldán Dr Pere Clapés Prof Albert Virgili Dr Teodor Parella |
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| Institution: | 1. Servei de RMN and Departament de Química, Universitat Autònoma de Barcelona, 08193 Bellaterra, Barcelona (Spain);2. Biotransformation and Bioactive Molecules Group, Instituto de Química Avanzada de Catalu?a, IQAC‐CSIC, Jordi Girona 18‐26, 08034 Barcelona (Spain) |
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| 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 13C indirect dimension enables the distinction of similar compounds exhibiting near‐identical 1H and 13C NMR spectra. It is shown that a complete set of extremely small Δδ(1H) and Δδ(13C) values, even below the natural line width (1 and 5 ppb, respectively), can be simultaneously determined and assigned. |
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| Keywords: | homodecoupling mixture analysis NMR spectroscopy pure shift NMR spectral aliasing |
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