Open Notebook Science NMRs and JSpecView problems

[Jean-Claude Bradley]

Both Peter Murray-Rust and Antony Williams from ChemSpider have expressed interest in predicting NMR spectra and comparing against open spectral information.   Here is a recent post with links to relevant info:

http://www.chemspider.com/blog/?p=213

 

For the UsefulChem lab group, this is a reminder of why it is important to upload all of the spectra of our starting materials, which we routinely acquire.  That includes the C NMR if you take it. 

 

Make sure to include a link back to the experiment where the spectrum was obtained, like this one:

http://usefulchem.wikispaces.com/Exp121

 

The TAGS section of each experiment should have a link from the chemical name to the ChemSpider entry and both InChIs and InChIKeys for Google indexing.

 

Start from the most recent experiments and work backwards.

http://usefulchem.wikispaces.com/All+Reactions

 

(One of the current problems with JCAMP files on UsefulChem - Khalid tried to update the JSpecView files on our server yesterday but was not able to get it to work - do the ChemSpider people have some advice since you just did it?)

--
Jean-Claude Bradley, Ph. D.
E-Learning Coordinator for the College of Arts and Sciences
Associate Professor of Chemistry
Drexel University

http://drexel-coas-elearning.blogspot.com
http://drexel-coas-talks-mp3-podcast.blogspot.com/
http://usefulchem.blogspot.com

[jcb]

It looks like all spectrum problems on UsefulChem have been solved -
thank Khalid, Robert and Tony!

On Oct 18, 9:53 am, "Jean-Claude Bradley"

<jeanclaude.brad...@gmail.com> wrote:
> Both Peter Murray-Rust and Antony Williams from ChemSpider have expressed
> interest in predicting NMR spectra and comparing against open spectral
> information. Here is a recent post with links to relevant info:http://www.chemspider.com/blog/?p=213
>
> For the UsefulChem lab group, this is a reminder of why it is important to
> upload all of the spectra of our starting materials, which we routinely
> acquire. That includes the C NMR if you take it.
>
> Make sure to include a link back to the experiment where the spectrum was
> obtained, like this one:http://usefulchem.wikispaces.com/Exp121
>
> The TAGS section of each experiment should have a link from the chemical
> name to the ChemSpider entry and both InChIs and InChIKeys for Google
> indexing.
>

> Start from the most recent experiments and work backwards.http://usefulchem.wikispaces.com/All+Reactions