Sigma-Aldrich Library of ATR-IR Spectra

Technique: IR Spectral Databases

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Overview

Confident identification with the NEW Sigma-Aldrich collection, by Wiley

This database is available as part of the KnowItAll IR Spectral Library subscription

The Sigma-Aldrich Library of ATR-IR Spectra is a world-class, comprehensive collection of new ATR-IR spectra sourced from the laboratories of Sigma-Aldrich* by Merck KGaA Darmstadt, Germany. Featuring over 18,000 pure compounds and over 19,500 spectroscopic records, this new collection includes the Sigma-Aldrich catalog number, ensuring quick and accurate ordering of standards from Sigma-Aldrich.

Containing all new spectra, the Sigma-Aldrich Library of ATR-IR Spectra works with existing workflows for confident identification. The Sigma-Aldrich Library of ATR-IR Spectra includes compound properties (molecular formula, mass, compound class) and ATR-IR spectroscopic data, which has been evaluated by Wiley and third-party experts.

Source information is also provided in data fields, i.e. source of spectra and source of sample. Spectral data can be easily searched using multiple search parameters to assure confident compound matching. Featured spectra were measured in the spectral range of 4000 to 625 cm-1 and compound classes include the following:

  • 5-membered aromatic heterocycles and fused aromatic heterocycles
  • 6-membered aromatic heterocycles and fused aromatic heterocycles
  • Alkynes
  • Aromatic compounds: acid halides, alcohols and phenols, aldehydes, amides, amines, amino acids and acid salts, anhydrides, carboxylic acids, esters and lactones, ethers, halogenated hydrocarbons, hydrocarbons, ketones, mercaptans and sulfides, nitriles & cumulated double bonds, nitro and nitroso compounds, phosphorus compounds, sulfur-oxygen compounds
  • Boranes
  • Coordination and complex compounds
  • Deuterated compounds
  • Heterocyclic N-oxides
  • Mineral acids
  • Non-aromatic compounds: acid halides, acid salts, alcohols, aldehydes, amides, amines, amino acids, anhydrides, carboxylic acids, esters and lactones, ethers, acetals and epoxides, halogenated hydrocarbons, hydrocarbons, ketones, mercaptans & sulfides, nitriles & cumulated double bonds, nitro and nitroso compounds, phosphorus compounds, sulfur-oxygen compounds
  • Non-metallic inorganics
  • Organometallic and arsenic compounds
  • Oximes
  • Polymers
  • Schiff bases, azobenzenes, indicators & dyes
  • Silanes
  • Steroids and indole alkaloids

ATR sampling techniques have revolutionized IR solid and liquid sampling, affording faster sampling, improved sample-to-sample reproducibility, and minimized instrument-to-instrument spectral variation. Posing strong advantages like minimal sample preparation and analysis of samples in their native states, ATR-IR is advancing to become the new standard in FT-IR sampling techniques, making the Sigma-Aldrich Library of ATR-IR an indispensable tool in emerging clinical research, forensics, and food safety industries.

 

*Sigma-Aldrich is now Millipore Sigma.

Sigma-Aldrich is a trademark of Sigma-Aldrich Co. LLC. or its affiliates. All other trademarks are property of their respective owners.

Library Specifications

  • ATR-IR Spectra: 19,503
  • Distinct Sigma-Aldrich Catalog Numbers: 19,503
  • Searchable Chemical Structures: 18,910
  • Unique Compounds: >18,500
  • Structures with InChI Key: 18,910
  • CAS Registry Numbers: 19,286

Compound Coverage

Compound coverage can be searched at www.compoundsearch.com.