Research Guides: Chemistry: Additional Resources

Online Resources

Chemical Thesaurus
A free reaction chemistry database.
name-reaction.com
Schematics and mechanisms with references for some of the better known name reactions.
Name Reagents
Structure diagrams and references for some important reagents. (Univ. of Wisconsin)
Organic Chemistry Portal
Name reactions, bond types, protecting groups.
Web Reactions
A free database that allows you to perform a customizable reaction similarity search with focus on the reaction center.

CRC Handbook of Chemistry and Physics by John Rumble (Editor)
Call Number: INTERNET
ISBN: 9781138561632
Publication Date: 2018-06-14
In a world with access to unlimited amounts of data, how can users who need to make critical scientific and technical decisions find high quality, reliable data? Today, more than ever, the CRC Handbook of Chemistry and Physics remains a hallmark of quality. For over 100 years, the Handbook has provided property data on chemical compounds (now over 20,000) and all physical particles that have been reported in the literature, carefully reviewed by subject experts. Every year older collections are updated with the latest values and new areas will be added as science progresses.

Organic Compounds Database (Colby)
File of 2483 small organic molecules, searchable by basic property values, UV and MS peaks, and simple structural attributes. Returns maximum of 20 hits per search. Useful mainly for O-chem students. (Colby College)
Properties of Solvents (Murov)
Properties of Solvents Used in Organic Chemistry
Millipore-Sigma Aldrich
Chemical/physical data, FT-IR and NMR spectra, and MSDS are displayable. Registration is required to view some information.

Written language is inadequate for expressing the precise structure and composition of a molecule. Despite the best efforts of IUPAC and other groups to establish standard rules for naming compounds, the only unambiguous way to depict a substance is with a structural formula. The name of a particular substance can vary according to the source used. Many IUPAC-style names are now generated by software tools rather than by hand, and there is much variation. Chemists generally use acronyms, trivial names, and trade names as shorthand.

Recommendations on Organic & Biochemical Nomenclature, Symbols & Terminology
Recommendations on Organic & Biochemical Nomenclature, Symbols & Terminology etc.
Naming and indexing of chemical substances for Chemical Abstracts.
Published as Appendix IV of the CA Index Guide. More than you'd ever want to know about how CAS names the substances it registers.

Top Look Up Tools:

SciFinder
Retrieves information contained in databases produced by Chemical Abstracts Service (CAS) as well as the MEDLINE database of the National Library of Medicine (NLM). Email eresources@wheaton.edu for instructions on how to create a login.
Subject Database for Organic Compounds (SDBS)
A free resource of spectra for over 33,000 substances. You must first agree to their disclaimer before entering the site. You can search by compound name, molecular formula, molecular weight, CAS Registry no., as well by spectra properties.
NIST Chemistry Webbook
A free resource for chemical information. There is property and spectra data for more than 7000 organic and small inorganic compounds.
ChemSpider
A free chemical structure database providing fast text and structure search access to over 67 million structures from hundreds of data sources.
PubChem Project
Search tool for Compounds, Substances, and BioAssays. Produced by the National Library of Medicine, it provides reliable detailed information, from the very basic to more advanced for each item listed. Provides linking to medical literature and toxicology resources, allowing you to further your research, if you wish.
WebElements
Aims to be a high quality source of information on the web about the periodic table for students. Provides many pictures showing element structures and periodic properties.
ChemExper Directory
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 uncritical sources.
NIST X-ray Photoelectron Spectra
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."
RSC Spectra School
A useful introductory site explaining the central concepts of spectroscopy.

Specialized Organic Chemistry Resources:

EPA/USAF Spectral Database
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.
m/zCloud
Curated database of high-resolution tandem mass spectra that are arranged into spectral trees. MS/MS and multi-stage MSn spectra were acquired at various collision energies, precursor m/z, and isolation widths using Collision-induced dissociation (CID) and Higher-energy collisional dissociation (HCD)
NMRshitDB
Database of over 40K 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. (Univ. of Koeln)
Raman Spectroscopic Library of Natural and Synthetic Pigments
Raman spectra of 56 common pigments known to have been in use before 1850, arranged by color. (Univ. Coll. London)

Specialized Inorganic Chemistry Resources:

Mineral Spectroscopy Server
Files of visible, Raman, and IR spectra of minerals, plus links to other collections. (Caltech)
NIST Atomic Spectra Database
The ASD "contains data for radiative transitions and energy levels in atoms and atomic ions. Data are included for observed transitions and energy levels of most of the known chemical elements. ASD contains data on spectral lines with wavelengths from about 20 pm (picometers) to 60 m (meters). For many lines, ASD includes radiative transition probabilities. The energy level data include the ground states and ionization energies for all spectra."
RRUFF
Database of Raman spectra, X-ray diffraction and chemistry data for well-characterized minerals. (Univ. of Arizona)

Specialized Biological Resources:

Biological Magnetic Resonance Databank
Quantitative data derived from NMR spectroscopic investigations of biological macromolecules. (Univ. of Wisconsin)
METLIN
Repository of metabolite information and tandem mass spectrometry data designed to facilitate metabolite identification in metabolomics. (Scripps)

What Every Chemist Should Know About Patents
Booklet from the ACS providing a brief overview of patents.
ACS Committee on Patents and Related Matters
ACS Committee website detailing information about patents.
US Patent and Trademark Office
The US Patent and Trademark Office (USPTO) is the federal agency for granting U.S. patents and registering trademarks.
Google Patents (Beta mode)
Free Patents Online
A free resource for US, European, WIPO, and Japanese patents. Patents are provided in pdf format.

The following are a few podcasts that talk about chemistry related topics:

Chemistry Podcast
features highlights from articles published in Nature and the Research Journals covering the most exciting chemical and biochemical topics.
Chemistry in its Element
a weekly tour of the elements from the periodic table done by the Royal Society of Chemistry.
Distillations
Distillations exists where science and the humanities overlap. Each episode of Distillations podcast takes a deep dive into a moment of science-related history in order to shed light on the present. Hosted by Alexis Pedrick and Elisabeth Berry Drago.

The following are fun videos to watch about the elements:

Periodic Table of Videos
provides a brief video of each element on the periodic table. Done by the University of Nottingham.