Click the "Search" tab enter a molecule name or formula (case sensitive) in "Search by Molecule/Spectrum Properties" box choose the appropriate format (name/formula) in the drop-down menu then click "Search".īy right-clicking, you can save the spectrum as a jpeg graphic.Ī current version of Java must be installed on your computer. No need to register to search for and predict NMR (mostly 13C). Be careful to choose a spectrum taken in the liquid phase (or "neat") - do not choose one from the vapor phase. IR from many sources are collected in the database. When looking at an IR spectrum, in the "Display as" box, choose "% Transmittance". The database contains IR, NMR, MS, and UV-Vis, with extensive search capabilities. Be sure you choose IR's only as "liquid film" (some are taken in CCl4 solvent). You can also enter spectral frequencies to search. It is searchableīy name, full or partial molecular formula, and molecular weight. Here you can find IR, MS, 13C- and 1H-NMR. Of Industrial Science and Technology, Japan DO NOT use this database to compare IR's with your liquid-phase samples! This site contains IR (gas phase mostly), Mass Spectra and a few UV-visibleīy name, full or partial molecular formula, and molecular weight.
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On how to acknowledge or cite their data when it is used in a presentation,įrom one of these databases to compare with your experimental spectrum,ĭo not choose one that was determined in the gas phase (unless your spectrum was also determined in the gas phase). Please note that these sites contain information Take you to sites where you can search for the structures and spectra
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