Report 81 12 Stanford KSL

This paper presents an "expert system" devised to aid organic chemists in determining the structure (i.e. the arrangement of atoms and bonds) of newly isolated, naturally occurring compounds. The system exploits a data base of rules for analyzing.013 C nuclear magnetic resonance spectra" [2. 13 C spectroscopy is a relatively new technique; only in the last ten years, at most, has this analytic approach been practical. Currently, no general interpretive schemes exist for thoroughly analyzing 13C spectra. A few limited classes of compounds have been investigated in detail, and highly specific schemes for interpreting their 13C spectra have been developed. The only generally applicabl- "interpretation rules" rely on correlation J of spectral and substructural features.