At 11:37 16/09/2007, Jean-Claude Bradley wrote: >Peter, Thanks very much - this is exactly the sort of hidden science we should be able to extract
>For a simple example I am attaching the view of adding a solution of >veratraldehyde to a solution of 5-methylfurfurylamine, both in >methanol-d4 - taken from overlay 1 of EXP046 ><http://usefulchem.wikispaces.com/Exp046>http://usefulchem.wikispaces.com/Exp046 >(the most recent version of Java is not supported by JSpecView so >uninstall the last Java update to get this to work) Anyway here is >an image of the methoxy region attached > >The methoxys of veratraldehyde are the tall blue peaks then after >about 85% conversion to the imine they shift by 0.1 to 0.15 ppm >upfield giving the residual smaller red peaks. This may be due to >water being generated since the peaks shift gradually over the >course of imine formation. (see monitoring peaks in the results >section 46A) It would be nice to be able to model this. In the current project we will only be looking at 13C I think... Also - did you mean 0.15 or 0.015? The whole spectrum is only 0.15 P. Peter Murray-Rust Unilever Centre for Molecular Sciences Informatics University of Cambridge, Lensfield Road, Cambridge CB2 1EW, UK +44-1223-763069 ------------------------------------------------------------------------- This SF.net email is sponsored by: Microsoft Defy all challenges. Microsoft(R) Visual Studio 2005. http://clk.atdmt.com/MRT/go/vse0120000070mrt/direct/01/ _______________________________________________ Blueobelisk-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
