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.




Zoom In: click+drag
Zoom Out: double-click
Slide: shift+drag
Scale: scroll (mousewheel)