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Progress in Fourier Transform Spectroscopy pp 143–147Cite as

Automatic Interpretation of Infrared Spectra

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Part of the book series: Mikrochimica Acta Supplement ((MIKROCHIMICA,volume 14))

Abstract

Normal frequency ranges tabulated for large fragments of organic molecules have been tested against IR spectra collected in a spectroscopic database. The results show that the correlation tables cannot be reliably used for automatic spectra interpretation. On the other hand, vibrational spectra of an organic compound can be predicted on the basis of a spectroscopic database by making a structure similarity search.

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Author information

Authors and Affiliations

  1. Pharmaceutical Institute, University of Bern, Baltzerstr. 5, CH-3000, Bern, Switzerland

    Christian Affolter, Knut Baumann & Jean-Thomas Clerc

  2. Department of Organic Chemistry, Swiss Federal Institute of Technology (ETH), Universitätstr. 16, CH-8092, Zürich, Switzerland

    Hans Schriber & Ernö Pretsch

Authors
  1. Christian Affolter
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  2. Knut Baumann
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  3. Jean-Thomas Clerc
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  4. Hans Schriber
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  5. Ernö Pretsch
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Editor information

Editors and Affiliations

  1. Department of Analytical Chemistry, University of Veszprém, Veszprém, Hungary

    János Mink

  2. Institute of Isotopes, Hungarian Academy of Sciences, Budapest, Hungary

    János Mink

  3. Central Research Institute of Chemistry, Hungarian Academy of Sciences, Budapest, Hungary

    Gábor Keresztury

  4. Institut für Analytische Chemie, Technische Universität Wien, Wien, Austria

    Robert Kellner

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© 1997 Springer-Verlag Wien

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Affolter, C., Baumann, K., Clerc, JT., Schriber, H., Pretsch, E. (1997). Automatic Interpretation of Infrared Spectra. In: Mink, J., Keresztury, G., Kellner, R. (eds) Progress in Fourier Transform Spectroscopy. Mikrochimica Acta Supplement, vol 14. Springer, Vienna. https://doi.org/10.1007/978-3-7091-6840-0_17

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  • DOI: https://doi.org/10.1007/978-3-7091-6840-0_17

  • Publisher Name: Springer, Vienna

  • Print ISBN: 978-3-211-82931-8

  • Online ISBN: 978-3-7091-6840-0

  • eBook Packages: Springer Book Archive

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