SpecInfo on the Internet - NMR, IR, MS

SpecInfo on the Internet - NMR, IR, MS

Online ISBN: 9780471692294

DOI: 10.1002/9780471692294

About this Database

Now Featuring More Than 1.6 Million Spectra

Wiley and Wiley-VCH spectroscopy data are installed on instruments in laboratories all over the world. Their uses are broad - including toxicology, forensics, metabolomics, quality assurance, fundamental R&D, environmental, food science, deformulation, and homeland security. These same databases are available through Wiley Online Library today. Now featuring 1.6 million spectra, Wiley Online Library provides the broadest most

No software to install: access is enabled using an advanced browser-based Java application that requires no installation and is compatible with Microsoft Windows, Apple OS X, linux, and Oracle Solaris.

Spectrum searching: Many online chemistry databases say they have spectra, but these are often just static pictures of spectra. Wiley Online Library's spectral databases feature full spectral search capabilities for "known unknowns."

Spectrum prediction: Not in the spectral library? Wiley Online Library's spectroscopy collections include built-in NMR spectrum prediction for "unknown unknowns". Using machine-learning algorithms, NMR spectrum prediction on Wiley Online Library is among the best in the world and is included in the subscription.

Users can import spectra, structures, and peak lists, draw structures, and perform searches on names, synonyms, and other notes (such as instrument), perform spectrum predictions (C-NMR, H-NMR, X-NMR), export search results, and prepare PDF search reports.


Mass Spectrometry

  • Wiley Registry 9th (670,000 spectra, 570,000 structures)
  • NIST/EPA/NIH 2011 (240,000 spectra, 210,000 structures)
  • Wiley MS -(86,991 spectra, 86,991 structures)


  • Wiley 1H NMR (109,494 spectra, 109,000 structures)
  • Wiley 13C NMR (444,209 spectra, 444,209 structures)
  • Wiley 13C NMR Flavors and Fragrances (11,812 spectra, 11,815 structures)
  • Wiley 13C NMR Natural Products (3,435 spectra, 3,435 structures)
  • Wiley 19F NMR (23,617 spectra, 23,661 structures)
  • Wiley 31P NMR (14,378 spectra, 14,427 structures)
  • Wiley 29Si NMR (2,325 spectra, 2,325 structures)


  • Wiley IR Industrial Chemicals (17,769 spectra, 17,769 structures)
  • Wiley Near Infrared (1,923 spectra, 1,923 structures)
  • Wiley IR Hummel Industrial Polymers Volume 1 (1,915 spectra, 554 structures)
  • Wiley IR Hummel Industrial Polymers Volume 2 (1,569 spectra, 1,160 structures)
  • Wiley IR Hummel Industrial Polymers Volume 3 (1,526 spectra, 1,365 structures)
  • Wiley IR Hummel Surfactants (1,031 spectra)
  • Wiley IR Hummel Defined Polymers (2,919 spectra)


  • Spectrum Search (NMR, FT-IR, Near-IR, Mass Spectrometry (classical electron ionization, nominal mass))
  • Structure Search: Import/Export or drawn. Structure drawing tool included.
  • Text Field Search: All fielded records are text searchable.
  • Spectrum prediction: C-NMR and H-NMR algorithms as well as machine-trained algorithms for C-NMR, H-NMR, Si-NMR, P-NMR, and F-NMR.
  • Printable Search Reports, Hit-List Reporting.
  • Citable: Each spectrum has a unique identifier