In this diploma thesis we investigated the basics of modern spectroscopy methods and how the information obtained from them can be used in computer assisted structure elucidation. For this purpose, 1H NMR, IR and MS spectra of the selected organic compounds were extracted. This served as the basis for the development of rules for the algorithm that would resolve the structure of the molecule from this data. The algorithm was developed in collaboration with colleagues from the Faculty of Computer and Information Science, University of Ljubljana.
Additionally, we synthesized 3-methoxy-1H-indole-2-carboxylic acid, a key building block for the synthesis of the recently discovered natural product Cephalnadol C found in the methanolic extract of the Taiwanese plant Cephalanceropsis gracilis.
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