References to data retrieved from a database should be cited like a web site and include the CAS Registry Number (RN) or chemical name and the date the database was accessed. If the data is calculated data, also cite the software used for the calculation.
If the spectrum or data was found in SciFinder, cite it in the following way:
- SciFinder; Chemical Abstracts Service: Columbus, OH; carbon-13 NMR spectrum; spectrum ID CC-03-C_SPC-3734; RN 50-52-2; https://scifinder.cas.org (accessed June 9, 2010).
- SciFinder; Chemical Abstracts Service: Columbus, OH; Density; RN 50-52-2; https://scifinder.cas.org (accessed June 9, 2010); calculated using ACD/Labs software, version 8.14; ACD/Labs 1994-2007.
If the spectrum or data was found in an online database or web site, cite it in the following way:
- Spectral Database for Organic Compounds (SDBS); mass spectrum; SDBS No.: 4778; RN 87-86-5; http://riodb01.ibase.aist.go.jp/sdbs/ (accessed June 14, 2010).
If the spectrum was found in a journal, cite the article:
- Kartashov, V. S.; Shorshnev, S. V.; Arzamastsev, A. P. Use of carbon-13 NMR spectroscopy to identify 10-alkyl derivatives of phenothiazine. Khimiko-Farmatsevticheskii Zhurnal1991, 25, 85-8.
Print (data set compilation)
If the spectrum or data was found in a book or handbook, cite it in the following way:
- The Sadtler Standard Spectra: 300 MHz Proton NMR Standards; Bio-Rad, Sadlter Div.: Philadelphia, PA, 1994; no. 7640 (1-Chloropentane).
- The Merck Index: An Encyclopedia of Chemicals, Drugs, and Biologicals, 12th ed.; Budavari, S.; O'Neal, M.J.; Smith, A.; Heckelman, P. E.; Kinneary, J. F., Eds.; Merck & Co.: Whitehouse Station, NJ, 1996; entry 4857.
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