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Large online collection of spectra, including: experimental (MS, IR, 13C-NMR, H-NMR) spectra for compounds, and predicted H-NMR spectra.
CAS SciFinder Scholar is the premier chemistry database produced by the American Chemical Society. It contains structure diagrams, names, molecular formulas, properties, single- and multiple-step chemical reactions. UIC users also have access to the Substructure Module.
Literature references for spectra for many of the 11 million organic compounds. Bring up the chemical's substance record, and you'll see Spectroscopic Data as one of the filter options to the left. Limit to the methods you want to view. (NOTE: no spectra, but references and links to journal articles where you will find spectra).
The merger of three prestigious databases puts all the relevant data at the user’s fingertips. A search across the Reaxys database delivers a single results set and each record provides details excerpted from multiple patent or journal sources. Offering a wealth of experimentally validated information, Reaxys brings a fresh look to synthetic chemistry with powerful functionality, combined content and relevant information.
SDBS is an integrated spectral database system for organic compounds including 6 different types of spectra under a directory of the compounds. The six spectra are as follows, an electron impact Mass spectrum (EI-MS), a Fourier transform infrared spectrum (FT-IR), a 1H nuclear magnetic resonance (NMR) spectrum, a 13C NMR spectrum, a laser Raman spectrum, and an electron spin resonance (ESR) spectrum.
PubChem records with spectral data have a Table of Content (TOC) section labelled “Chemical and Physical Properties” with a “Spectral Properties” subsection. One can use the TOC to jump to a given type of spectral data content. Clicking the SpectraBase image or the HMDB link directs the user to an external web page for that compound, where one can further interact with the spectral information.
"The Atomic Spectra Database (ASD) 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 about 950 spectra, with about 144,400 lines from 0.4 to 5,000,000 angstroms in wavelength, plus about 77,000 energy levels."
"Three databases of diatomic, triatomic, and hydrocarbon molecules were originally published as spectral tables in the Journal of Physical and Chemical Reference Data. Each covers primarily the microwave region with some data for the radio frequency region. Rotational spectral lines for 121 diatomic molecules, 55 triatomic molecules, and 91 hydrocarbons have been tabulated. The isotopic molecular species, assigned quantum numbers, observed frequency, estimated measurement uncertainty, and reference are given for each transition."
Version 4.1 provides "access to the energies of many photoelectron and Auger-electron spectral lines. Resulting from a critical evaluation of the published literature, the database contains over 22,000 line positions, chemical shifts, doublet splittings, and 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."
Series available in the library catalog include:
Find these and other titles by searching in the catalog and requesting them from the Circulation Desk on the first floor of Daley Library.