NMR Structure Elucidation Workflow
Standard order: molecular formula gives the degree of unsaturation; 1H shifts, integrals, and multiplets plus 13C/DEPT identify fragments; HSQC pins each proton to its carbon; COSY chains protons into spin systems; HMBC stitches the spin systems across quaternary carbons and heteroatoms. The structure is accepted only when every observed correlation and shift is consistent with it.
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Standard order: molecular formula gives the degree of unsaturation; 1H shifts, integrals, and multiplets plus 13C/DEPT identify fragments; HSQC pins each proton to its carbon; COSY chains protons into spin systems; HMBC stitches the spin systems across quaternary carbons and heteroatoms. The structure is accepted only when every observed correlation and shift is consistent with it.
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