COMPUTER-ASSISTED STRUCTURE DETERMINATION OF ORGANIC-MOLECULES

Nuclear Magnetic Resonance spectroscopy offers the unique possibility of accessing proximity relationships between atoms by means of chemica l shift correlation experiments. Structure determination of small mole cules has become thus much simpler, Computer programs can use directly correlation information for structure analysis. The use and operation mechanism of such a program, LSD (Logic for Structure Determination) are presented. The example compound is gibberellic acid, a natural pro duct.