Fast searching for identical 13C NMR spectra via inverted filesDedicated to Dr W. Brügel on the occasion of his 65th birthday.

0030-4921

Chemistry ; Analytical Chemistry and Spectroscopy

Wiley InterScience Backfile Collection 1832-2000

Chemistry and Pharmacology

Inverted files of spectral features should be employed when searching for identical or similar spectra. The efficiency of interescting the entries for chemical shifts with a small deviation is very high for larger molecules and incomplete spectra. A novel spectral code describing the spectral appearance in hierarchical order (SAHO) facilitates the search for complete spectra with a relatively high tolerance of the chemical shifts. A vailable information on the chemical composition of the molecule, as well as the incusion of SFOR-multiplicities, will further narrow down the number of suitable reference compounds.

8 Ill.

Electronic Resource