Complete Proton and Carbon Assignment of Triclosan via One- and Two- Dimensional Nuclear Magnetic Resonance Analysis
نویسندگان
چکیده
Students from an upper-division undergraduate spectroscopy class analyzed oneand two-dimensional 400-MHz NMR spectroscopic data from triclosan in CDCl3. Guided assignment of all proton and carbon signals was completed via 1D proton and carbon, distortionless enhancement by polarization transfer (DEPT) 135, H-H correlation spectroscopy (COSY), H-C heteronuclear single quantum coherence (HSQC), and H-C heteronuclear multiple bond coherence (HMBC) NMR experiments. The near-symmetry of this diaryl ether provided a challenging structure elucidation problem for early-semester undergraduate spectroscopy students. Experimental H and C NMR chemical shifts are compared to estimated chemical shifts from computer software.
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