Simulation of experimental measurements

How to predict the elemental analysis of several compounds?
  • Go to the Compounds tab and click on the Compare compounds button.
  • In the screen that will appear, look for the compounds you wish and transfer them from the left list to the right one. Note that you can include more compounds than the ones displayed initially by typing their name/code in the Search box.
  • Select Elemental analysis.
How to predict the hydrophobicity of several compounds?
  • Go to the Compounds tab and click on the Compare compounds button.
  • In the screen that will appear, look for the compounds you wish and transfer them from the left list to the right one. Note that you can include more compounds than the ones displayed initially by typing their name/code in the Search box.
  • Select Solvation.
How to predict the MS spectra of several compounds?
  • Go to the Compounds tab and click on the Compare compounds button.
  • In the screen that will appear, look for the compounds you wish and transfer them from the left list to the right one. Note that you can include more compounds than the ones displayed initially by typing their name/code in the Search box.
  • Select Mass Spectrometry.
How to predict the NMR spectra of several compounds?
  • Go to the Compounds tab and click on the Compare compounds button.
  • In the screen that will appear, look for the compounds you wish and transfer them from the left list to the right one. Note that you can include more compounds than the ones displayed initially by typing their name/code in the Search box.
  • Select Nuclear Magnetic Resonance (NMR).
How to predict the IR spectra of several compounds?
  • Go to the Compounds tab and click on the Compare compounds button.
  • In the screen that will appear, look for the compounds you wish and transfer them from the left list to the right one. Note that you can include more compounds than the ones displayed initially by typing their name/code in the Search box.
  • Select Infrared spectrum (FT-IR).
How to predict the Thin Layer Chromatography (TLC) of several compounds?
  • Go to the Compounds tab and click on the Compare compounds button.
  • In the screen that will appear, look for the compounds you wish and transfer them from the left list to the right one. Note that you can include more compounds than the ones displayed initially by typing their name/code in the Search box.
  • Select Retardation Factor (TLC).
How to predict the Thin Layer Chromatography (TLC) to monitor a specific chemical reaction?
  • Locate the reaction that you wish to monitor and select it.
  • Click on the TLC monitoring button of the Analysis tab.
How to find the best chromatographic eluent to separate a compounds mixture?
  • Go to the Compounds tab and click on the Compare compounds button.
  • In the screen that will appear, look for the compounds you wish and transfer them from the left list to the right one. Note that you can include more compounds than the ones displayed initially by typing their name/code in the Search box.
  • Select Chromatographic purification.
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