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arXiv · 2209.03708

Total lineshape analysis of {\alpha}-tetrahydrofuroic acid $^{1}$H NMR spectra

Artemiy I. Nichugovskiy·Dmitry A. Cheshkov
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Abstract

The 1H NMR spectra of L-proline oxygen analogous, alpha-tetrahydrofuroic acid, 7-spins nonsymmetric spin system with strongly pronounced non-first order effects were analyzed by ANATOLIA total lineshape fitting. A close agreement of theoretical and experimental spectra (with R-Factor values bellow 5%) was achieved and accurate values of coupling constant were obtained. The carboxylic substituent disrupts tetrahydrofuran symmetry and allows to unambiguously determine the typical values of geminal coupling constants in oxygen-containing saturated five-membered ring systems.

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Artemiy I. Nichugovskiy, Dmitry A. Cheshkov. 2022-09-08. Total lineshape analysis of {\alpha}-tetrahydrofuroic acid $^{1}$H NMR spectra. https://arxiv.org/abs/2209.03708

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