NMR Links and Resources

Practical NMR Resources

  • Hans Reich's NMR Resources
    A top resource for small molecule NMR spectroscopy, covering both the theory and practice of NMR and spectra interpretation. Includes a a large library of chemical shift values and J-couplings. Excellent for both beginners and NMR veterans. The parent website is also a general chemistry resource. 
  • Spectra Database for Organic Compounds
    A fully searchable database of real NMR spectra. You can search by (partial or complete) molecular formula, or by entering observed chemical shifts to find possible matches. Also contains searchable IR, Raman, MS, and EPR data.
  • CASCADE NMR Predictor
    An online tool to predict 1H and 13C chemical shifts. Accepts a SMILES entry as input. Can also provide information about likely conformers.
  • NMR DB Predictor
    An online tool to predict 1H and 13C chemical shifts, as well as COSY, HSQC, and HMBC spectra.
  • NMR Chemical Shifts of Trace Impurities
    A journal article listing the chemical shifts of over 60 common contaminants in 12 common deuterated solvents. 
  • Glenn Facey's NMR Blog
    Although Dr. Facey has retired, this blog remains one of the best practical NMR resources on the Internet.
  • NMR Challenge
    Over 100 small molecule structure elucidation exercises.
  • UC Davis Useful NMR Resources
    A large list of NMR resources on the Internet. 

Protein NMR Resources

  • Protein NMR, A Practical Guide
    Descriptions of basic and advanced pulse sequences commonly used in protein NMR, and their role in assigning protein spectra. 
  • Biological Magnetic Resonance Data Bank
    A repository for data from NMR spectroscopy on proteins, peptides, nucleic acids, and other biomolecules.
  • NMRBox
    Ready-to-go virtual machines containing many common biomolecular NMR data processing programs. 

Theoretical NMR Resources