SDBS: Integrated Spectral Data Base System for organic compounds is provided free by the National Institute of Materials and Chemical Research (Japan). This database includes a variety of spectra. This is the database I use for most IR spectra in the class. If I cannot find it here, I go to the NIST site below.
NIST Chemistry Web Book: This site includes IR & UV/Vis spectra, and much, much more for over 70,000 compounds. Most useful, you can search by name or formula. This database contains mostly organic compounds, with some inorganic content. Compiled and distributed by the National Institute of Standards and Technology.
ChemFinder: Provides basic physical data (density, boiling point, melting point, etc.) for thousands of chemical compounds and links to other websites with additional data. Search by common chemical name, formula, or molecular weight. The database is provided freely by CambridgeSoft, the only problem is that you have to create a profile and remember your password.
ChemSpider: I find this to be a quick and easy site for simple molecules. It provides basic physical data and links to external web pages with more property information. It’s not good for more complex molecules or if the IUPAC name has too much complexity, but you might want to try here first for ease.
Sigma-Aldrich: This database is provided from a large commercial supplier of chemicals. You need to check substances carefully as specific products can vary depending on concentration in solution. The most useful information is it provides literature sources for synthesis often and simple physical constants, such mp and bp.
SOLV-DB: This is a database with properties for commercially important solvents. You can search by solvent name or by property. Find information such as vapor pressure, dielectric constant, mp, bp and viscosity.
These free websites can calculate the isotopic distributions of compounds:
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