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QCMP055. C13:Carbon-13 NMR Identification
Program
by Jean Pierre Gastmans, Instituto de
Química, UJMF, Araquara, SO(a,~)o Paulo,
Brasil
This program serves to predict the 13C spectra of a compound, to study the influence of substituents and bonding upon the carbon magnetic resonance spectra, and to assign the peaks in an experimental spectra. It is particularly oriented to the study of natural products, primarily the terpenes. The data files (DTSET and DELIN) take up more than 450 Kb and represent more than 10,000 experimental spectra (compacted) and close to 6,000 substructures. FORTRAN 77 (Microsoft 3.3) Lines of Code: 1190 |