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Spectral Database for Organic Compounds National Institute of Advanced Industrial Science and Technology (AIST), Japan Organic compounds Spectra:IR Raman MASS ESR 1 H NMR 13 C NMR SDBS No curated "SDBS". 34,000 Serum Metabolome Database: The Metabolomics Innovation Centre: found in blood serum "Serum Metabolome DB". 4,651 Solvent Selection Tool
NCI Database Compound, substance, and bioactivity data, advanced search panel; NIST Chemistry WebBook Compound data and spectra; Chemical catalogue Compounds search engine; Chemfinder Compound data (cookie-based accession limit) SDBS Spectra (UV/Vis, IR, NMR) Bordwell pKa Table pK a values in DMSO; Organic Synthesis Selected and commented reactions
The Beilstein database is a database in the field of organic chemistry, in which compounds are uniquely identified by their Beilstein Registry Number.The database covers the scientific literature from 1771 to the present and contains experimentally validated information on millions of chemical reactions and substances from original scientific publications.
The database can be searched by entering one or more of the following parameters: chemical name (is possible to request partial or full matching), molecular formula, number of different types of atoms present in the molecule (as a single value or as a range of values), molecular weight (as a single value or as a range of values), CAS Registry ...
PubChem is a database of chemical molecules and their activities against biological assays.The system is maintained by the National Center for Biotechnology Information (NCBI), a component of the National Library of Medicine, which is part of the United States National Institutes of Health (NIH).
For example, a chemical database might store a molecule with stereochemistry unspecified, whereas a chemical registry system requires the registrar to specify whether the stereo configuration is unknown, a specific (known) mixture, or racemic. Each of these would be considered a different record in a chemical registry system.
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The main academic full-text databases are open archives or link-resolution services, although others operate under different models such as mirroring or hybrid publishers. . Such services typically provide access to full text and full-text search, but also metadata about items for which no full text is availa