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.
|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|