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CHEM 4160 Chemistry Laboratory IVA-CTW: Finding Spectra

Where To Look For Spectra

Finding Spectra in Reaxys

Reaxys does not directly provide spectra, but does cite and link to the publications in which spectra are found.

  1. Perform a Substances and Properties Search.
  2. For each result, look under the Physical Data column and select Spectra.
  3. The available types of spectra are listed, with the number of each in parentheses. Select the type you are interested in.
  4. Each result is a publication including a spectrum. Take note of the Location, if listed, and click the Find It @ GSU button to go to the reference.
  5. If the reference is online, download the PDF. Note: Supporting Information is often a separate download.

Citing Spectra from SDBS

Spectra in the SDBS are mostly unique to that database, run in the laboratories of the National Metrology Institute of Japan. The FAQ suggests this citation:

SDBSWeb : http://riodb01.ibase.aist.go.jp/sdbs/ (National Institute of Advanced Industrial Science and Technology,date of access)

Check this format against the rules for Internet databases in your preferred citation style.

Predicting Spectra in SciFinder Scholar

  1. Perfom a Substances search.
  2. Select "Spectra," located under the structure drawing for each substance result.
  3. For each listed spectrum, select "See spectrum" to view the spectrum and source.
  4. Important: check the notes listed for each spectrum. Spectra labeled Predicted NMR Data should be a last resort!