Finding Chemical Spectra

Web Resources

• SciFinder Scholar

Includes IR, MS, and ¹³C NMR spectra for 150,000 compounds from Wiley databases and the SDBS database. Search by specific substance identifier/structure, and click on the microscope icon. Scroll down, and click on the Experimental Properties link for spectra.

• JPL Molecular Spectroscopy


• NIST Atomic Spectra Database


• NIST Chemistry WebBook

IR, mass, UV/Vis, electronic and vibrational spectra.

• NIST Molecular Spectra Databases

Covers primarily the microwave region of diatomic, triatomic, and hydrocarbon molecules.

• NMRShiftDB

NMR for organic structures.

• Sigma-Aldrich Catalog

FT-IR/Raman and NMR.

• Spectral Data Base System (SDBS)

National Institute of Advanced Industrial Science and Technology (AIST), Japan. Includes EI-MS, FT-IR, ¹H NMR, ¹³C NMR, Raman, and ESR spectra for organic compounds.

• spectroscopyNOW.com

Provides information about a wide range of spectroscopy resources, services, and news.

Selected Print Resources

• Sadtler Spectra Collections

Located in Chemistry Reading Room (Buehler 653). One of the largest collection of spectra. Includes fluorescence, infrared grating, standard infrared, proton NMR, ¹³C NMR, and UV biochemical spectra.

• TRC Spectra

Located in Chemistry Reading Room (Buehler 653). Includes ¹H and ¹³C NMR, mass, Raman, infrared, and UV spectra.

• The Handbook of Infrared and Raman Spectra of Inorganic Compounds and Organic Salts
  Hodges Reference: QC457 .N927 1997


• Handbook of Organic Compounds : NIR, IR, Raman, and UV-Vis Spectra Featuring Polymers and Surfactants
  Hodges Reference: QC462.85.H36 2001


• The Porphyrin Handbook
  Hodges Reference: QD401 .P824 2000


• Finding Other Books

Use the word "spectra" and other appropriate terms as a keyword search in the Library Catalog to find other possible sources in the Libraries. Although not comprehensive, Google^TM Book Search can be useful in searching the full-text of books and will sometimes allow you to see the page itself.

Searching the Literature

Since the spectra in compilations represent a very small percentage of compounds, you will often need to search the journal literature. Many times, spectral information is mentioned incidentally in an article, so be sure to explore promising articles that may have property data.

• SciFinder Scholar

Try searching by substance, and retrieve references associated with Spectral Properties. For pre-1967 references, search by substance, and get all references. Then refine by Research Topic using terms describing the type of spectra you need.Be aware that SciFinder Scholar indicates the presence of spectral properties only if it is a primary topic of the article.

• Beilstein

An important resource for organic compounds. Provides spectra data and/or references to journal articles.

• Full-Text Journal Collections
  Searching the full-text of electronic journals is another way to find spectra. Try looking in these major collections of science journals:
  American Chemical Society Journals
  Royal Society of Chemistry Journals
  ScienceDirect (Elsevier)
  SpringerLink (Springer/Kluwer)