ACD Labs i-Lab

The University of Toronto has obtained a site license for ACD Labs I-Lab online software for spectral prediction, structural naming and physicochemical prediction. The NMR prediction can predict 1H, 13C, 19F, 31P and 15N one dimensional spectra. For more information on how to use i-Lab, refer to this PDF. A powerful feature is the substructure and chemical shift search capabilities.

To access the web site, a browser with a Java runtime must be used. We recommend Firefox with Java 5.0.

The web site must be accessed from a University of Toronto IP address or through the University of Toronto Library proxy server.

If you are connecting from within the University of Toronto, click on the link below and select "Enter as SL User" (on the left hand sidebar).

ACD Labs i-Lab

I use ChemDraw to sketch the compound, copy the SMILES string and paste that in the SMILES operator to generate the structure and move that structure into the ACD Drawing Applet. ACD ChemSketch can be downloaded.

ACD/Labs 2D NMR Processor

The University of Toronto has a one year trial site license for ACD/Labs 2D NMR Processor, from August 17 2006 until August 17 2007.

Users may download a copy of the software from:
http://www.acdlabs.com/nmr/pr_nmr_3.html

Online movies are available at:
http://acdlabs.net/nmr/1dnmrprocessor_movie.exe and
http://acdlabs.net/nmr/2dnmrprocessor_movie.exe.

Please contact Timothy Burrow for license keys.

Please email Tim Burrow with any comments