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Chem216 Synthesis and Characterization of Organic Compounds

Provides directions for obtaining physical properties and spectroscopic data of substances as well as organic reactions information from Reaxys and other resources.


Use structure search in Reaxys to obtain the NMR Spectra or its NMR chemical shifts.

Nicotine Structure


  • Follow Step 1-4 in Physical Properties through Reaxys to open the structure editor, draw the structure, search the database and expand the substance details.
  • Expand the Spectra --> NMR Spectroscopy category.
  • Top: If a NMR record specified as "Spectrum", it means there is a spectrum graph presented in the corresponding reference. If a NMR record specified as "Chemical Shifts", the NMR data is presented as chemical shifts of each hydrogen or carbon in the corresponding reference.
  • Follow MGetIt to get the full text of references. If no electronic full text is available, find the print copy of the reference as described in Step 5 of Physical Properties through Reaxys.

Read NMR Spec data

Obtain other Spectral Data

Other spectral data, such as IR, UV-Vis, MS, Raman spectroscopy etc., can also be found under the "Spectra" category in Substance Details. You may follow the similar steps as for NMR Spectra to find other spectral data.

Alternative Resources for Spectrum Graph

If there is no reference containing the spectrum graph of a particular substance and you do need it, here are some other resources you can try to find it.

  • Open source online databases
  • SDBS (Integrated Spectral Database for Organic Compounds, Japan)
  • Print Handbook, for example
  • The Aldrich Library of FT-IR Spectra (Course pack p9), located at the reference section at the 3rd floor of Shapiro Science Library.
  • The Aldrich Library of NMR Spectra, located at the reference section at the 3rd floor of Shapiro Science Library.