Allows searches for data on specific compounds based on name, chemical formula, CAS registry number, molecular weight, ionization energy or proton affinity. Includes thermochemical data, IR spectra, mass spectra and ion energetics data for thousands of organic and small inorganic compounds as well as heat of reaction data. NIST (National Institute of Standards and Technology) maintains this free resource.
Properties of Organic Compounds is a database containing over 29,000 of the most commonly sought organic compounds, featuring physical data, spectral data, and structures. With a high quality display and powerful search capabilities, it acts as an easy-to-use tool for identifying unknown compounds or for locating additional data and references for a known compound.
SDBS is an integrated spectral database system for organic compounds,which includes 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.
NMRshiftDB2 is a NMR database (web database) for organic structures and their nuclear magnetic resonance (nmr) spectra. It allows for spectrum prediction (13C, 1H and other nuclei) as well as for searching spectra, structures and other properties. Last not least, it features peer-reviewed submission of datasets by its users. The nmrshiftdb2 software is open source, the data is published under an open content license.
License Information: There are no restrictions to the number of simultaneous users.Access is restricted to current students, faculty, and staff of the University of Saskatchewan, for educational, research, and non-commercial personal use. It is accessible in the library, on campus, and remotely. Systematic copying or downloading of electronic resource content, including the downloading of a full issue, is not permitted by Canadian and International Copyright law.
A "web-based search and retrieval system for chemical compounds, bibliographic data and chemical reactions." It is is "based on data from Elsevier's industry leading chemistry databases (CrossFire Beilstein, CrossFire Gmelin and Patent Chemistry Database) now merged together to provide harmonized content." It indexes core chemistry journals covering organic, metalloroganic, and inorganic chemistry, as well as organic patent publications.
License Information: There are no restrictions to the number of simultaneous users. Access is restricted to current students, faculty, and staff of the University of Saskatchewan, and to "walk-in" users of the University of Saskatchewan Library for their occasional use, for educational, research, and non-commercial personal use. It is accessible in the library, on campus, and remotely. Systematic copying or downloading of electronic resource content, including the downloading of a full issue, is not permitted by Canadian and International Copyright law.
The Sadtler Handbook of Infrared Spectra,
The Sadtler Handbook of Proton NMR Spectra,
The Sadtler Handbook of Carbon NMR Spectra.
Free software package includes applications for drawing 3D structures, creating reports with imported structures and spectra, processing of NMR, IR, and Raman spectra, predicting and simulating proton NMR spectra, analyzing functional groups, symmetry, and point groups.
This handbook provides a straightforward introduction to the field, showing what it can do and how it does it, together with a clear, integrated and objective account of the wealth of information that can be derived from spectra. The sequence of chapters covers the whole range of the electromagnetic spectrum, and the physical processes involved, from nuclear phenomena to molecular rotation processes.
Tables of spectroscopic data (NMR, infrared, Raman, ultraviolet, ESCA, X-ray, mass spectrometry, atomic absorption, flame photometry, emission spectrography and flame spectroscopy) for various materials.
Abstracting database indexing articles in over 100 international journals covering new analytical techniques and applications in analytical chemistry plus equipment manufacturers' application notes, standards and books.