Section: 8 | Proton NMR Absorption of Major Chemical Families |

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PROTON NMR ABSORPTION OF MAJOR CHEMICAL FAMILIES

Thomas J. Bruno and Paris D. N. Svoronos

The following table gives the region of the expected nuclear magnetic resonance absorptions of major chemical families (Refs. 1–12). These absorptions are reported in the dimensionless units of parts per million (ppm) as a chemical shift with respect to the absorption of the standard compound tetramethylsilane (TMS), which is recorded as 0.0 ppm.

t m s structure

The use of this unit of measure makes the chemical shifts independent of the applied magnetic field strength or the radio frequency. For most proton NMR spectra, the protons in TMS are more shielded than almost all other protons. The chemical shift in this dimensionless unit system is then defined by:

$δ = \frac{v_{s} - v_{r}}{v_{r}} \times 10^{6}$

where v_s and v_r are the absorption frequencies of the sample proton and the reference (TMS) protons (12, magnetically equivalent), respectively. In these tables, the proton(s) whose proton NMR shifts are cited are indicated by underscore. Ref. 1 provides additional details on the absorptions of other moieties, as well as correlation charts.

Major chemical families are included in the following tables.

Table No.	Chemical family
1	Hydrocarbons
2	Organic Oxygen Compounds
	Organic Nitrogen Compounds
3	Amides
4	Amines
5	Cyano Compounds
6	Nitro Compounds
	Organic Sulfur Compounds
7	Benzothiopyrans, Disulfides, Isothiocyanates, Mercaptans, S-Methyl Salts, and Sulfates
8	Sulfides and Other Families

References

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]
Silverstein, R. M., and Webster, F. X., Spectrometric Identification of Organic Compounds, Sixth Edition, Wiley, New York, 1998.
Rahman, A.-u., Nuclear Magnetic Resonance, Springer Verlag, New York, 1986.
Gordon, A. J., and Ford, R. A., The Chemist’s Companion, Wiley Interscience, New York, 1971.
Becker, E. D., High Resolution NMR, Theory and Chemical Applications, Second Edition, Academic Press, New York, 1980.
Gunther, H., NMR Spectroscopy: Basic Principles, Concepts and Applications in Chemistry, Wiley, New York, 2003.
Kitamaru, R., Nuclear Magnetic Resonance: Principles and Theory, Elsevier Science, 1990.
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.
Bovey, F. A., and Mirau, P. A., Nuclear Magnetic Resonance Spectroscopy, Second Edition, Academic Press, New York, 1988.
Hore, P. J., Nuclear Magnetic Resonance, Oxford University Press, Oxford, 1995.
Nelson, J. H., Nuclear Magnetic Resonance Spectroscopy, Second Edition, Wiley, New York, 2003.
Abraham, R. J., Fisher, J., and Loftus, P., Introduction to NMR Spectroscopy, Wiley, New York, 1988.

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TABLE 1. Chemical Shifts for Proton NMR Absorption of Hydrocarbons

Group	δ/ppm of underlined protons
Alkanes
CH₃-R	~0.8
-CH₂-R	~1.1
>CH-R	~1.4
Cyclopropane	0.2
Alkenes
CH₃-C=C<	~1.6
-CH₂-C=C<	~2.1
>CH- C=C<	~2.5
CH₃-C-C=C<	~1.0
-CH₂-C-C=C<	~1.4
>CH-C-C=C<	~1.8
>C=C-H	4.2 - 6.2
Alkynes
CH₃-C≡C-	~1.7
-CH₂-C≡C-	~2.2
>CH -C≡C-	~2.7
CH₃-C-C≡C-	~1.2
>CH-C-C≡C-	~1.5
>CH -C-C≡C-	~1.8
R-C≡C-H	~2.4
Aromatics
C₆H₅-G	8.5 - 6.9

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TABLE 2. Chemical Shifts for Proton NMR Absorption of Organic Oxygen Compounds

Group	Approximate δ/ppm of underlined protons
Continued on next page...
Alcohols
CH₃-OH	3.2
RCH₂-OH	3.4
R₂CH-OH	3.6
CH₃-C-OH	1.2
RCH₂-C-OH	1,5
R₂CH-C-OH	1.8
R-O-H	1 to 5
Aldehydes
CH₃-CHO	2.2
RCH₂-CHO	2.4
R₂CH-CHO	2.5
CH₃-C-CHO	1.1
RCH₂-C-CHO	1.6
Amides
See organic nitrogen compounds
Anhydrides, acylic
CH₃-C(=O)O-	1.8
RCH₂-C(=O)O-	2.1
R₂CH-C(=O)O-	2.3
CH₃-C-C(=O)O-	1.2
RCH₂-C-C(=O)O-	1.8
R₂CH-C-C(=O)O-	2.0

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PROTON NMR ABSORPTION OF MAJOR CHEMICAL FAMILIES

References

TABLE 1. Chemical Shifts for Proton NMR Absorption of Hydrocarbons

TABLE 2. Chemical Shifts for Proton NMR Absorption of Organic Oxygen Compounds

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