(note that OH and NH hydrogens will not be shown)

This page illustrates how JSME (the JavaScript Molecular Editor) can be used along with JSpecView to obtain a simulated NMR spectrum for a chosen compound. These two views along with the 3D JSmol model, can be used 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 or CCOCC, then press .

Note that these spectra are just predictions. They may differ significantly from actual NMR spectra. For more accurate prediction (or for compounds with unusual structures), a quantum mechanical method should be used.

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