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• W2022204015 abstract "Various applications of computer programs which allow the automatic use of spectral and structural information from the SPEKTREN 13C NMR data bank are presented. A method of classifying clusters in a distribution of shifts belonging to the same substructure code is described and the reliability of the prediction of spectra is discussed. The influence of the size of the ‘shift window’ for spectral match was tested. The usefulness of the combination of spectroscopic and substructural information in various ways is illustrated, and the integrity of the used data base is tested with different methods." @default.
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• W2022204015 date "1985-12-01" @default.
• W2022204015 modified "2023-09-25" @default.
• W2022204015 title "¹³ C NMR data bank techniques as analytical tools" @default.
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• W2022204015 doi "https://doi.org/10.1002/mrc.1260231207" @default.
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