Spectroscopic databases have developed to useful tools in the process of structure elucidation. Besides the conventional library searches, new intelligent programs have been added, that are able to predict structural features from measured spectra or to simulate for a given structure. The example of the C13NMR/IR database developed at BASF and available on STN is used to illustrate the present capabilities of online database. New developments in the field of spectrum simulation and methods for the prediction of complete structures from spectroscopic information are reviewed. (author). 10 refs, 5 figs.
Luksch, P 
- Fachinformationszentrum Karlsruhe, Gesellschaft fuer Wissenschaftlich-Technische Information mbH, Eggenstein-Leopoldshafen (Germany)