Re: [Jmol-users] Google as an InChI to CAS Resolver for NIST Spectra

Otis, What about this? http://webbook.nist.gov/cgi/cbook.cgi?Mask=80InChI=1S/C2H5NO2/c3-1-2%284%295/h1,3H2,%28H,4,5%29 That's the escaped INCHI there, or: [ http://webbook.nist.gov/cgi/cbook.cgi?Mask=80InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)] Mask=80 says you want the IR spectrum

Re: [Jmol-users] Google as an InChI to CAS Resolver for NIST Spectra

Bob, On our end, this all started with a request from one of Tom's colleagues. He's using the VMK in a service outreach lecture series to discuss, among other things, how chemists know what molecules look like. We thought it would be neat to be able to discuss this with a series of edited