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. 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 or CCOCC, then press . Note that these spectra are just predictions. They may differ significantly from actual NMR spectra. |
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credits: 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 |