Thursday, April 8, 2010

CNMR-Predictions free of charge

Chemspider has launched C13-NMR predictions using the NMRSHIFTDB-database system. An (again critical) evaluation can be found at

I strongly recommend to take a textbook on Carbon-NMR and to rerun the examples I have shown on my webpage - otherwise you won't believe !

Before somebody starts a 'blog-war', please convince me that 1000's of literature citations claiming that a terminal CH3 in an alkyl-chain resonates at 14ppm, are wrong - I will immediately publish here an "Erratum".

In order to make the superior CSEARCH-technology available free-of-charge an interface can be found at

Every request is processed twice for your infomation - give it a try and enjoy yourself !

Stay tuned - more to come ! Wolfgang Robien