You may be interested in trying following webtools. Virtual combinatorial liabrary Electronic laboratory notebook (ELN) Mass spectroscopy NMR spectroscopy General chemistry Organic chemistry Biooriented chemistry This platform has been designed as a complement for teaching the class of biooriented chemistry. During this teaching the following topics are covered: Structural Analysis Mass spectrometry: monoisotopic mass and isotopic distribution Infrared dspectroscopy Degree of unsaturation Diastereotopic protons Nuclear magnetic resonance (NMR) Peptide synthesis Protected amino acids PDB : Protein database and a work on JSMol Structural analysis (NMR. IR MS) You will find on this website various tools allowing to learn and discover structural analysis. Those tools include; prediction experimental spectra exercises The following spectroscopy analysis are covered: infrared spectroscopy (IR) nuclear magnetic resonance (NMR) ma...