NMR Spectra Simulation
NOTE: This will work in Firefox, Safari, Chrome, but NOT Internet Explorer (because it's rubbish).
Construct a molecule in the sketch window (some practice examples given below), then click "Simulate Spectra" to produce the 1H and 13C spectra.
Simulate NMR and MS
This demo will simulate 1H and 13C NMR spectra, as well as the mass spectrum parent peak (isotopic distribution), of the molecule you draw in the sketcher. Click the Simulate Spectra button to simulate the spectra when you finish drawing your molecule. The spectra are interactive, so you can change their perspectives. For more simulation options, atom assignments and publishing features, please see ChemDoodle.