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This page illustrates how we can use JSME (the JavaScript Molecular Editor) along with JSpecView to quickly get a simulated spectrum for a compound of our choice. Note that the three applets can be combined easily in any combination. JSmol on this page calls servers in Frederick, Maryland (NIH resolver, for name-to-structure) and Lausanne, Switzerland (nmrdb, for structure-to-spectrum) Draw a chemical structure or search for a chemical identifier such as caffeine RYYVLZVUVIJVGH-UHFFFAOYSA-N or CCOCC, then press . Note that these spectra are calculated i.e. predictions. They may differ significantly from actual NMR spectra. |
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credits: This page is a mirror of the page at St Olaf. JSmol and page development: Bob Hanson JSME: Peter Ertl, Bruno Bienfait JSpecView: Robert Lancashire, Bob Hanson nmrdb: Luc Patiny NIH Resolver: Markus Sitzmann Java2Script: Zhou Renjian |