SpecInfo Online NMR, MS, IR

"SpecInfo" provides an integrated spectroscopy solution for viewing, predicting, and searching spectra. "SpecInfo" collections cover three specialized 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 contain 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, chemical structure, molecular formula, molecular weight, literature reference, solvent (NMR), standard (NMR), and measurement conditions.
Knowledge basis have been derived for all NMR nuclei enabling the powerful spectrum prediction. The database is part of the Wiley Chemistry Databases and available through Wiley InterScience. The data are accessible through the Web client SpecSurf. No installations at the customer site are required.