R FG i
C N O S F Cl Br I P X
JSME Molecular Editor by Peter Ertl and Bruno Bienfait
drag out MOL or RXN file



Jmol._Canvas2D (Jmol) "jmol"[x]
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 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
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