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NMR Predictor

Try the new HTML5 only predictor that works also on iPad, Android, ... and does not require JAVA (only HTML5)!!!

This page allows to predict the spectrum from the chemical structure based on "Spinus". You may find more information on the authors website.

References

You need to install java 1.4 or later to see this applet.
How to proceed ?

If you are really in hurry, just click here to get a predicted spectrum of ethylvinylether.

1. Draw a molecule or test with ethylvinylether.

Molfile:

2. You are now ready to predict the NMR spectrum. Just click here to proceed.
3. You may also copy the ACS assignment

Or a tab-delimited assignment

You have a fast computer (or plenty of time), just try our new real spectrum simulator. It will calculate the same spectrum but taking into account the second order effects.
Size: x

We thanks Molecular Networks for providing the predicting engine.

     Copyright: Luc Patiny - Ecole Polytechnique Fédérale de Lausanne - cheminformatics.epfl.ch