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Section: 8 | 13C-NMR Absorptions of Major Functional Groups |
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John R. Rumble, ed., CRC Handbook of Chemistry and Physics, 103rd Edition (Internet Version 2022), CRC Press/Taylor & Francis, Boca Raton, FL.
If a specific table is cited, use the format: "Physical Constants of Organic Compounds," in CRC Handbook of Chemistry and Physics, 103rd Edition (Internet Version 2022), John R. Rumble, ed., CRC Press/Taylor & Francis, Boca Raton, FL.

13C-NMR ABSORPTIONS OF MAJOR FUNCTIONAL GROUPS

Thomas J. Bruno and Paris D. N. Svoronos

The table below lists the 13C chemical shift ranges (in ppm) with the corresponding functional groups in descending order. Some typical simple compounds for every family are given to illustrate the corresponding range. The shifts for the carbons of interest are given in parentheses, either for each carbon as it appears from left to right in the formula, or by the underscore (Refs. 1–17). In Ref. 1, the reader can find additional details, correlation charts, additivity rules, and the expected 13C peaks attributed to common solvents. All shifts are relative to tetramethylsilane (TMS).

Column definitions for the table are as follows.

Column heading Definition
δ range 13C chemical shift range, in parts per million (ppm) relative to TMS
Group Functional group exhibiting shifts within the specified range
Family Families of compounds within the specified functional group
Example Specific example compounds within the family
δ of underlined carbon Actual 13C chemical shift for the example compound, in ppm relative to TMS

References

  1. Bruno, T. J., and Svoronos, P. D. N., CRC Handbook of Basic Tables for Chemical Analysis – Data-Driven Methods and Interpretation, Fourth Edition, CRC Press/Taylor & Francis, Boca Raton, FL, 2021. [https://doi.org/10.1201/b22281]
  2. Yoder, C. H., and Schaeffer, C. D., Jr., Introduction to Multinuclear NMR: Theory and Application, The Benjamin/Cummings Publishing Co., Menlo Park, CA, 1987.
  3. Brown, D. W., J. Chem. Educ. 62, 209, 1985. [https://doi.org/10.1021/ed062p209]
  4. Silverstein, R. M., and Webster F. X., Spectrometric Identification of Organic Compounds, Sixth Edition, John Wiley and Sons, New York, 1998.
  5. Becker, E. D., High Resolution NMR, Theory and Chemical Applications, Second Edition, Academic Press, New York, 1980.
  6. Gunther, H., NMR Spectroscopy: Basic Principles, Concepts and Applications in Chemistry, Wiley, New York, 2003.
  7. Kitamaru, R., Nuclear Magnetic Resonance: Principles and Theory, Elsevier Science, 1990.
  8. Lambert, J. B., Holland, L. N., and Mazzola, E. P., Nuclear Magnetic Resonance Spectroscopy: Introduction to Principles, Applications and Experimental Methods, Prentice Hall, Englewood Cliffs, NJ, 2003.
  9. Bovey, F. A., and Mirau, P. A., Nuclear Magnetic Resonance Spectroscopy, Second Edition, Academic Press, New York, 1988.
  10. Harris, R. K., and Mann, B. E., NMR and the Periodic Table, Academic Press, London, 1978.
  11. Hore, P. J., Nuclear Magnetic Resonance, Oxford University Press, Oxford, 1995.
  12. Nelson, J. H., Nuclear Magnetic Resonance Spectroscopy, Second Edition, Wiley, New York, 2003.
  13. Levy, G. C., Lichter, R. L., and Nelson, G. L., Carbon-13 Nuclear Magnetic Resonance Spectroscopy, Second Edition, Wiley, New York, 1980.
  14. Pihlaja, K., and Kleinpeter, E., Carbon-13 NMR Chemical Shifts in Structural and Stereochemical Analysis, VCH, New York, 1994.
  15. Aldrich Library of 1H and 13C FT-NMR Spectra, Aldrich Chemical Company, Milwaukee, WI, 1996.
  16. Balci, M., Basic 1H- and 13C-NMR Spectroscopy, Elsevier, London, 2005. [https://doi.org/10.1016/B978-044451811-8/50008-5]
  17. http://www.chem.wisc.edu/areas/reich/handouts/nmr-c13/cdata.htm, 2009.
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13C-NMR Chemical Shifts for Major Functional Groups



δ range/ppmGroupFamilyExampleδ of underlined carbon/ppm
Continued on next page...
220–165>C=OKetones(CH3)2CO(206.0)
(CH 3) 2CHCOCH 3(212.1)
AldehydesCH3CHO(199.7)
α,β-unsaturated carbonylsCH3CH=CHCHO(192.4)
CH2=CHCOCH3(169.9)
Carboxylic acidsHCO2H(166.0)
CH3CO2H(178.1)
AmidesHCONH2(165.0)
CH3CONH2(172.7)
EstersCH3CO2CH2CH3(170.3)
CH2=CHCO2CH3(165.5)
140–120>C=C<Aromatics, alkenesC6H6(128.5)
CH2=CH2(123.2)
CH2=CHCH3(115.9, 136.2)
CH2=CHCH2Cl(117.5, 133.7)
CH3CH=CHCH2CH3(132.7)
125–115–C≡NNitrilesCH3–C≡N(117.7)
80–70–C≡C–AlkynesHC≡CH(71.9)
CH3C≡CCH3(73.9)


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