Abstract
During the construction of a proton NMR database, several utility programs have been developed for improving efficiency of the compilation. The personal computer program system presented here is one of such utilities. This program serves three major functions. The first function is to input structural formulae interactively by drawing them on a CRT screen. The second is to convert and process the raw spectral data from a spectrometer into a proper set of information. The last function is to make assignment of signal groups in the given spectral data to hydrogen-containing substructures in the corresponding structural formula. These functions are executed interactively with graphical representation of spectrum and structures drawn on a CRT screen.
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References
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© 1993 Springer-Verlag Berlin Heidelberg
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Abe, H., Okuyama, T., Yoshida, K., Kouno, E., Sasaki, Si. (1993). A Personal Computer Program System for NMR Database Construction. In: Warr, W.A. (eds) Chemical Structures 2. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-78027-1_3
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DOI: https://doi.org/10.1007/978-3-642-78027-1_3
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-642-78029-5
Online ISBN: 978-3-642-78027-1
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