August 22, 2007
I’ve blogged and pointed a little bit to the ChemSpider service over the last few months. It’s a service that my former colleague, Tony Williams along with others is working on, so I think it has great potential.
It looks as if they have taken another step in the right direction by allowing users to add spectra of different analytical types to the database records.
Instructions on how to do this can be downloaded at:
Currently, you can only upload spectra in JCAMP format (.jdx or .dx extension) as JSpecView viewing component is integrated in ChemSpider.
NMR software users of ACD/1D NMR Processor or Manager can easily export their data files into the JCamp format. Simply choose Export… from the File menu and select JCAMP (*.jdx,*.dx) from the Save as type: drop-down menu (click to enlarge images):
Of course you can also import JCAMP files into the Processor or Manager.
Go ahead and share your spectra with the chemistry community!