C-13 nmr spectrum of propanone analysis of chemical shifts ppm interpretation of C-13 chemical shifts ppm of acetone C13 13-C nmr doc brown's advanced organic chemistry revision notes

Advanced Organic Chemistry: ¹³C NMR spectrum of propanone CH₃COCH₃

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Interpreting and explaining the Carbon-13 NMR spectrum of propanone (acetone) CH₃COCH₃

[Author © Dr Phil Brown PhD: Doc Brown's advanced level organic chemistry exam revision notes suitable for students of UK A level chemistry courses, IB chemistry & US K12 grade 11, grade 12 and AP honors chemistry courses: Molecular spectroscopy analysis of propanone [spectra updated Mar 28th 2026 *]

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C-13 NMR spectroscopy - spectra index

Introductory note on the 13C NMR spectrum of propanone

Students and teachers please note that my explanation of the carbon-13 NMR spectrum of propanone is designed for advanced, but pre-university, chemistry courses.

The description does not involve the chemical shift δ spin-spin coupling effects for propanone and the relative size of the carbon-13 NMR shifts does not give the ratio of the carbon atoms in the different non-equivalent chemical environments of the propanone molecule.

The most common solvent used for investigating the C13 NMR spectrum of compounds like propanone, is CDCl₃ and other deuterated solvents.

C-13 nmr spectrum of propanone analysis of chemical shifts ppm interpretation of C-13 chemical shifts ppm of acetone C13 13-C nmr doc brown's advanced organic chemistry revision notes

TMS is the acronym for tetramethylsilane, formula Si(CH₃)₄, whose ¹³C atoms are arbitrarily given a chemical shift of 0.0 ppm. This is the 'standard' in ¹³C NMR spectroscopy and all other ¹³C shifts, called chemical shifts, depend on the individual (electronic) chemical environment of the ¹³C atoms in an organic molecule - propanone here.

propanone (acetone, dimethyl ketone), C₃H₆O, , , ,

A ketone The molecular structure and naming of aldehydes and ketones

Interpreting the C-13 NMR spectrum of propanone (acetone)

As you can see from the diagram above there are two ¹³C chemical shift line in the C-13 NMR spectrum of propanone indicating 2 different chemical environments of the carbon atoms.

CH₃COCH₃ or (CH₃)₂C=O

(Note the 2 colours indicating the 2 different chemical environments of the carbon atoms in propanone).

(a) Both methyl carbon atoms have a ¹³C chemical shift of 30.8 ppm, equivalent, same chemical environment.

(b) The carbonyl carbon atom has a ¹³C chemical shift of 206.6 ppm.

Note the big effect on the chemical shift on the carbon atom bonded to the highly electronegative oxygen atom.

The carbon-13 NMR spectra a provides direct evidence of 2 different carbon atom environments in the propanone molecule from 2 different chemical shifts (ppm).

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Links associated with propanone

The infrared spectrum of Propanone (acetone)

The mass spectrum of Propanone (acetone)

The H-1 NMR spectrum of Propanone (acetone)

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