Application of NMR methods for the structure elucidation of a chiral bis-isochroman compound

dc.contributor.advisorTimári, István
dc.contributor.authorDerhab, Walaa
dc.contributor.departmentDE--Természettudományi és Technológiai Kar--Kémiai Intézet
dc.date.accessioned2022-12-07T10:22:48Z
dc.date.available2022-12-07T10:22:48Z
dc.date.created2022-12-03
dc.description.abstractMy aim in the thesis was to expand my knowledge about how NMR technique works and to do the NMR assignment for a potentially biological active compound, a chiral bis-isochroman. This project enabled me to see the power of NMR methods in structure elucidation. To achieve the goals, 1D 1H, J-modulated 13C and 2D COSY, ROESY, HSQC, and HMBC NMR experiments were acquired. I analyzed the measured spectra in the software Bruker TopSpin 4.1.4. As the spectra gave detailed information about how the structure atoms are connected, I could make full 1H and 13C resonance assignment of the compound, verifying its constitution. After that I could identify characteristic ROESY cross peaks between 1, 3 and 1’, 3’ protons, which clearly shows the stereochemistry within the compound as the hydrogens are in cis orientation, and thus confirms the relative configuration of the molecule.
dc.description.courseChemical Engineering
dc.description.degreeBSc/BA
dc.format.extent30
dc.identifier.urihttps://hdl.handle.net/2437/341896
dc.language.isoen
dc.subjectNMR
dc.subjectStereochemistry
dc.subject.dspaceDEENK Témalista::Kémia
dc.titleApplication of NMR methods for the structure elucidation of a chiral bis-isochroman compound
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