My might have seen my efforts to convert the NMRShiftDB data into RDF:

Peter Ansell has shortly after that copied the data into Bio2RDF, but I had not blogged about that yet. So, here goes. If you have not looked at Bio2RDF yet, this is a good time to do that. The structure of the exposed triples is not perfect, and I just realized I made a beginners mistake, to use a domain name in a namespace I have not control over (bad me). The Virtuoso6 faceted browser allows you to navigate the data in Bio2RDF by molecule (e.g. molecule 234):

And by spectrum too (e.g. spectrum 4735):

This post was originally posted as https://chem-bla-ics.blogspot.com/2009/10/nmrshiftdb-rdf-3-bio2rdf.html.