To use these web pages, select a compound. Then from the web page for the compound select the NMR experiment (ie: proton, carbon, DEPT, etc.). This will retrieve the spectrum, the structure, and a text box. Selecting a peak in the spectrum will highlight appropriate atoms in the structure, and change the displayed text. (The status line changes when the pointer is over a feature).
Most of this document uses gif images which will display in most browsers. To display some of the chemical structures you will need the Chime plug-in from MDLI.
Data files. The orignal FID and the the processed spectra are available in several different formats from the Widener University Science Division FTP site. The FID and spectra are available as NUTS (Acorn NMR) files. These files may be processed with NUTS (A demonstration version is available), or with MESTRE-C (Freeware). The spectra are also available as JCAMP-DX files. These may be viewed with a plugin for Windows 95 or using JCAMP-DX as a helper application.
I would like to acknowledge Thomas Gardener's article "Chemistry on the Internet VI. Designing Imagemaps for Chemistry Web Pages". The Chemical Educator, 6, 1, 1997. http://journals.springer-ny.com/ for giving me the idea of using javascripts and image maps to create an interactive web page. I am also indebted to Henry Rzepa and his web page "2D NMR Analysis using Hyperactive Molecules" http://www.ch.ic.ac.uk/rzepa/mjce/ for additional ideas.
Please send any comments, corrections, or suggestions to
svanbram@science.widener.edu.
Last Updated Tuesday, June 03, 1997 16:33:14
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