Code: CTQ-021


Title: Structural Elucidation of Organic Compounds


Level: Master / PhD

Mandatory: no

Total study time: 72h                                                   TPI: (2-0-4)



Theoretical aspects of Nuclear Magnetic Resonance (NMR) of 1H and FT-NMR; chemical shifts, spin-spin splitting, first and second order spectra analysis. Practical aspects of 1H NMR; sample preparation, NMR tubes and solvents, spectra simulation. 13C NMR and NOE. Principles and applications of 2D correlation spectroscopy. Case studies in structure attribution and elucidation using sets of spectroscopic and spectrometric data.



  • Silverstein, R. M.; Bassler, G. C.; Morrill, T. C., Spectrometric Identification of Organic Compounds, 5th edition, Wiley, 1991.
  • Pavia, D. L.; Lampman, G. M.; Kriz, G. S., Introduction to Spectroscopy, 2nd edition, Saunders Golden Sunburst Series, 1996.
  • Williams, D. H.; Fleming, I., Spectroscopic Methods in Organic Chemistry, McGraw-Hill, 1987.
  • Field, L. D.; Sternhell, S.; Kalman, J. R., Organic Structure from Spectra, Wiley, 1995.

Complementary Bibliography

  • Simpson, J. H., Organic Structure Determination Using 2-D NMR, 2nd edition, Elsevier, 2012.
  • Claridge, T. D. W. (Ed.), High-Resolution NMR Techniques in Organic Chemistry, 2nd edition, Elsevier, 2009.
  • Keeler, J., Understanding NMR Spectroscopy, 2nd edition, Wiley, 2010.
  • Crews, P.; Rodrigues, J.; Jaspars, M., Organic Structure Analysis, Oxford University Press, 1998.