Strukturaufklärung organischer Verbindungen durch computerunterstützten Vergleich spektraler Daten

Abstract

Abstract A system for computer‐aided identification of organic compounds by means of spectroscopic data is described. The binary coded spectral data of the unknown compounds are compared with a reference file containing NMR., IR. and Mass Spectra. A highly flexible software automatically selects the appropriate search strategy and directs the updating of the collection, thereby ensuring continuous adaption to varying needs.