One of the world's largest collections of spectra allowing search by structure, substructure, complete spectra, individual spectral features, chemical names, and molecular properties
Publisher John Wiley has announced the launch of SpecInfo on Wiley InterScience, its dynamic online publishing platform.
With over 434,000 curated spectra, SpecInfo is among the world's largest collections.
This launch marks the first time Wiley has made the collection available on the internet through Wiley InterScience.
SpecInfo provides an integrated spectroscopy solution for viewing, predicting, and searching spectra.
SpecInfo collections cover three specialised fields: infrared (IR), nuclear magnetic resonance (NMR), and mass spectroscopy (MS).
All the data included in SpecInfo are curated - databases are quality controlled at the point of data preparation and are sourced from reputable laboratories and peer-reviewed literature.
The IR databases consist of two groups: the polymer group and the organic compounds and surfactants group, which also include near IR spectra.
IR spectroscopy is used in synthesis control, trace analysis, process control, quality control and other applications.
Since the interpretation of IR spectra is difficult, database searches are essential in IR spectroscopy. The NMR databases contains three collections: the proton NMR collection, which incorporates natural compounds and physiologically active compounds; the carbon NMR collection, which covers the whole range of organic chemistry and focuses on natural products including those used in medical research; and the XNMR collection, which is useful in the manufacture of such consumer goods as detergents and engineered materials, including silicone chemistry.
The MS databases fall into three categories: general organic chemistry, environmental chemistry, and food and nutrition.
The MS database search is ideally suited for identifying a chemical compound - and due to its high sensitivity - is especially effective in identifying compounds in trace amounts.
SpecInfo offers impressive search functionality, allowing users to search by structure, substructure, complete spectra, individual spectral features, chemical names, and molecular properties.
Each entry includes: chemical name, molecular formula, molecular weight, literature reference, solvent (NMR), standard (NMR), and measurement conditions.
