Total lineshape analysis of α-tetrahydrofuroic acid 1H NMR spectra
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.
Turn this paper into a lesson
ArcXiv compiles a structured reading guide from this paper's metadata: plain-English importance, contributions, prerequisite concepts, which sections to read first, flashcards, and a quiz. Grounded in the abstract, never invented.