Reaxys This link opens in a new windowDESCRIPTION: By far the largest source of literature-derived property values for millions of organic and inorganic compounds, with many searchable property fields, including spectral data.
CAVEATS: The interface is sometimes not intuitive and searching by property values requires some perseverence. Consult the Help pages for examples, units, and field descriptions. Many spectral entries contain no actual numeric data, only source literature references.
TIPS: Use the Query Builder option to construct a search form of desired spectral data fields. Click the Add/Remove Fields button and select the desired spectral data field to add it to the form, then enter values. Enter ranges with a hyphen (e.g. "221-222"). Due to the large data volume, queries should be narrowly defined, and ideally combined with other search parameters (such as solvent, a substructure or other identification/property fields) to focus your results.