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Chemistry Forums for Students => Organic Chemistry Forum => Topic started by: Enantiomer on November 09, 2009, 03:18:17 PM

Title: Better NMR database?
Post by: Enantiomer on November 09, 2009, 03:18:17 PM

Hi all,
I was wondering if any of you knew of a better NMR database then the one I'm currently using?  Right now I'm using nmrdb.org, which is good if you have your NMR, but not so great for when you want to predict what a compound SHOULD look like (i.e. search for allyl bromide and the suggested spectrum will pop-up),  nmrdb.org is okay for this but not great you have to create the structure on your own instead of simply typing in the name of the compound, anyone know a site that has a better search engine?

Title: Re: Better NMR database?
Post by: azmanam on November 09, 2009, 05:15:56 PM

Quote

but not so great for when you want to predict what a compound SHOULD look like

Really?  Have you tried this part of the site:
http://www.nmrdb.org/predictor

Also, see here:
http://riodb01.ibase.aist.go.jp/sdbs/cgi-bin/cre_index.cgi?lang=eng

As far as straight prediction of unknown NMR, nmrdb is a better bet.  As far as real, actual spectra of real, actual (simple!) compounds, SDBS is a good way to go.

Title: Re: Better NMR database?
Post by: Enantiomer on November 09, 2009, 11:13:04 PM

Thanks azmanam, I've been using nmrdb.org, but I found it is simply tedious to write out the structures sometimes (especially if I have 20+ compounds I wanna look at), the other site looks to have some promise and I'll get back to you once I've played around with it.