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CHEM 4160 Chemistry Laboratory IVA-CTW: Finding Spectra

Database recommendations for spectra searches

SciFinder | Reaxys | SDBS

Where To Look For Spectra

Finding Spectra in SciFinder

1. Perform a Substances search for the substance of interest.

2. Select "Spectra", located under the structure drawing for each substance result.

3. You should be linked by default to "Experimental Spectra". For each spectrum, select "See spectrum" to view the image and source. If there are only "Predicted Spectra" listed for your molecule, try searching another database like Reaxys or SDBS. 

Finding Spectra in Reaxys

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

1. Search for your substance. Searching by the CAS number is usually efficient. You will likely get a set of results for Substances, and a set of results for Documents. Choose View Results for Substances.

2. A list of substances will come up. Find your substance, and choose Spectra

3. The available types and number of spectra are listed. For Chem 4160, you want NMR Spectroscopy.

4. Each result is a publication including a spectrum. Click the Full Text link on the right-hand side to find the reference.

5. If the reference is online, view it in your browser or download the PDF.

Note: The actual spectra may be located in supporting Information, which is often a separate download. There will usually be a link for the extra information on the page where you accessed the article on the publisher's website or at the end of the article itself (usually right before the references).

Citing Spectra from SDBS

General help for searching SDBS can be found here: 

Spectra in the SDBS are mostly unique to that database. The SDBS FAQ suggests this citation information for your bibliography:

SDBSWeb : (National Institute of Advanced Industrial Science and Technology, date of access)

Check this format against the guidelines for Internet databases in ACS citation style.