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Analytical Chemistry Web Sites

  • Society for Applied Spectroscopy
    For the advancement of various types of spectrometric analysis.
  • Basics of NMR
    An online textbook covering the basic theory and practice of nuclear magnetic resonance (NMR) spectroscopy by Dr. Jospeh Hornak of the Rochester Institute of Technology.
  • NMRShiftDB - open nmr database on the web
    Allows for NMR spectrum prediction (13C, 1H and other nuclei) as well as for searching spectra, structures and other properties.
  • nmrdb.org - Database of NMR Spectra
    Allows you to predict an NMR spectrum from a structure, assign peaks in a structure, or reconstruct a spectrum from a peaks list.
  • Spectroscopic Tools
    Help with spectra interpretation: enter a data point, and this site will return a table of possible chemical functional groups that would product that result. Enter H-NMR chemical shift, FT-IR wavenumber, or Mass Spec m/e value.
  • Isotope Distribution Calculator and Mass Spec Plotter
    Type in the chemical formula and this program will calculate the intensity of each mass isotope in the species
  • American Chemical Society Division of Analytical Chemistry
    Includes the Analytical Sciences Digital Library, a directory of free resources in techniques, applications, and learning & teaching resources in Analytical Chemistry.
  • Spectra & Spectral Data - University at Buffalo Libraries
    A great guide to print and online sources for spectral data, divided by type of spectroscopy.
  • ASDL-Analytical Sciences Digital Library
    Collects, catalogs, annotates and links peer-reviewed web-based educational resources and publishes the online journal, JASDL. A joint project of the ACS Analytical Chemistry division and the National Science Foundation.
  • Spectra Online
    Free spectral database service from collections of public domain and other data generously submitted by various institutions and individuals (data provided as-is). Could include FT-IR, UV-Vis, NIR, Raman, MS, NMR (13C, 1H and others), XRD and more.

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