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Infrared spectroscopy

[Theory] [Practice] [Spectrum interpretation] [Predictions] [Databases] [Resource guides] [Questions?]

- Theory -

- Practice -

- Spectrum interpretation -

  • IR - Wizard

    Enter a wavenumber, and a list of possible functional groups with their intensities is displayed.

- Predictions -

  • ComSpec3D

    Enter a structure and a IR/Raman spectra is generated together with table of the important wavenumbers and IR/Raman intensities. When clicking on a wavenumber, the corresponding 3D normal vibration mode will be displayed.

- Databases -

Free
  • NIST chemistry webbook

    Searchable (e.g. Formula, Name, Partial formula, CAS registry number, Molecular weight etc.) database with IR spectra for over 5000 compounds.

Commercial

- Recource guides -

- Questions? -