Physical and chemical properties of compounds, spectral databases

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1. sdbs website: http://www.aist.go.jp/riodb/sdbs/sdbs/owa/sdbs_sea.cre_frame_sea Features: It contains NMR and MS data for common compounds, with relatively reliable results； Requirements: None 2. ChemFinder website: http://chemfinder.cambridgesoft.com/ Features: Contains physical and chemical data for common compounds ； Requirement: Use it after registration. 3. NIST website: http://webbook.nist.gov/chemistry/ Features: It contains physical and chemical data of common compounds, as well as IR and MS spectra ； Requirements: None. 4. Acros website: http://www.acros.be/ Features: It contains various physical and chemical properties data for all of the company’s products; some also have corresponding spectral data, and it is possible to view the MSDS for compounds free of charge ； Requirements: None. 5. Sigma-Aldrich website: http://www.sigmaaldrich.com/area_of_interest/the_americas/united_states.html Features: Similar to Acros ； Requirement: Registration is necessary to access the MSDS. ChemSketch is a software provided by ACD Systems for drawing molecular formulas; it has comprehensive functions. After registration, its online database can be used to simulate various NMR data for compounds, calculate their physical and chemical properties (such as pKa, boiling point, saturated vapor pressure, etc.), and assign IUPAC names to complex compounds.