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NMR Assigner

 

As of 1 October 2009, you may use our new website http://www.mylims.org in order to store and process your own NMR spectra.

 

Here we show an applet that allows directly from the web to upload and assign NMR spectra on-line. The assignment of NMR spectra may be decomposed in 4 steps:

  1. identification of the signals
  2. integration and multiplicity determination
  3. assignment of each signal to the corresponding atom in the molecule
  4. exportation of the data for publication and/or for database storage

In order to be able to test this applet you will need JVM 1.4 or later and also "LiveConnect", the technology that allows communication between javascript and java. This later is however installed by default in most of the webbrowser.

In order to prevent security problems, all the information has to come from our server. For this reason when you want to analyze your own spectrum, it is first send to the server and then the applet loads it from the server.

The applet is designed to help the chemist to assign NMR spectra and to generate the assignment either in-line (ACS style) or in a table for future processing in a database.

How to proceed ?

If you are really in hurry, just click here to load a fully assigned spectrum, click on the spectrum and move the mouse over the different elements and atoms.

You may now check the assignment in ACS format by clicking here or in a tab-delimited format by clicking here.
1. Just test the applet with ethylvinylether.
2. Assign the spectrum with the "Smart Peak Picking" tool
3. Add the corresponding chemical structure for ethylvinylether.
4. Get the result in ACS format or as a table of assignments.
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Superimpose an assignment string:
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     Copyright: Luc Patiny - Ecole Polytechnique Fédérale de Lausanne - cheminformatics.epfl.ch