An integrated spectral database system for organic compounds, which includes 6 different types of spectra under a directory database of the compounds. The spectra are EI mass, 1H decoupled 13C NMR, 1H NMR pattern (90 and/or 400 MHz), 1H NMR parameter (300 MHz pattern generated), FT-IR, laser-Raman, and ESR. Produced by the National Institute of Advanced Industrial Science and Technology of Japan.
Provides access to chemical and physical property data (including IR, mass, and UV/vis spectra) for chemical species. Searchable by chemical formula, partial formula, chemical name, CAS registry number, molecular weight, ionization energy, and proton affinity. Published by the National Institute of Standards and Technology (NIST).
In-depth chemical substance and reaction data. Especially useful for searching organic, inorganic, and organometallic chemical data of molecules.
Includes three core chemistry information databases: Beilstein (Organic Chemistry from 1700's), Gmelin (Inorganic Chemistry from 1800's), and Patent Chemistry Database (1975-present), and Selected Organic Chemistry Patents (1869-1980).
Not a true spectral library. However, this free Windows software package allows you to draw structures, import spectra and perform IR and Raman functional group analysis, and generate reports.
Contains IR spectra (via interactive applet) for various compounds. The directory can be searched by registry number, molecular formula, chemical name or synonyms in different languages as well as by physical and chemical characteristics and combinations of those data. May also be searched by substructure. The data are submitted from various sources and should not be considered critically evaluated.
Spectra and spectroscopic data of species of interest to the pollution monitoring and gas diagnostics community. Spectra files are in .spc format, requiring a special viewer such as ShowSPC.
Contains data for atom and ion transitions, and energy levels. Lines are included for the first 99 elements in the periodic table. The energy level tables also contain ionization limits. ASD contains data on 950+ spectra, with about 144,400 lines from 0.4 to 5,000,000 angstroms in wavelength, plus 77,000+ energy levels.
Designed to provide a selection of the most important and frequently used atomic spectroscopic data in an easily accessible format. it includes data for the neutral and singly-ionized atoms of all elements hydrogen through einsteinium (Z = 1-99). The wavelengths, intensities, and spectrum assignments are given in a table for each element, and the data for the 12,000+ lines of all elements are also collected into a single table, sorted by wavelength (a "finding list").
Three databases of diatomic, triatomic, & hydrocarbon molecules originally published as spectral tables in the Journal of Physical and Chemical Reference Data. Each covers the microwave region with some data for the radio frequency region. Rotational spectral lines for 121 diatomic molecules, 55 triatomic molecules, & 91 hydrocarbons have been tabulated. Every entry: the isotopic molecular species, assigned quantum numbers, observed frequency, estimated measurement uncertainty, & references.
Provides access to the energies of photoelectron and Auger-electron spectral lines. Resulting from a critical evaluation of the published literature, the database contains 22,000+ line positions, chemical shifts, doublet splittings, & energy separations of photoelectron and Auger-electron lines. A highly interactive program allows the user to search by element, line type, line energy, and many other variables. Users can easily identify unknown measured lines by matching to previous measurements.
Web database for organic structures and their NMR spectra. It allows for spectrum prediction as well as for searching spectra, structures and other properties. It features peer-reviewed submission of datasets by users. Some browser compatibility issues; must have JavaScript and Java VM enabled.
A set of high quality spectral data from well characterized minerals and is developing the technology to share this information with the world. The collected data provides a standard for mineralogists, geoscientists, gemologists and the general public for the identification of minerals both on earth and for planetary exploration. Entries include photos of the sample, collected data, and measured chemistry in addition to the locality and source.
