13C nmr spectrum of methyl ethanoate C3H6O2 CH3COOCH3 analysis of chemical shifts ppm interpretation of C-13 chemical shifts ppm of methyl acetate C13 13-C nmr doc brown's advanced organic chemistry revision notes

Advanced Organic Chemistry: The ¹³C NMR spectrum of methyl ethanoate CH₃COOCH₃

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Interpreting and explaining the Carbon-13 NMR spectrum of methyl ethanoate (methyl acetate)

[Author © Dr Phil Brown PhD: Doc Brown's advanced level organic chemistry exam revision notes suitable for students of UK A level chemistry courses & US K12 grade 11, grade 12 and AP honors chemistry courses: Molecular spectroscopy - analysing the 13C NMR spectra of methyl ethanoate (methyl acetate) [spectra page updated April 4th 2026 *]

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C-13 NMR spectroscopy - spectra index

Introductory note on the 13C NMR spectrum of methyl ethanoate

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

The description does not involve the chemical shift δ spin-spin coupling effects for methyl ethanoate 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 methyl ethanoate molecule.

The most common solvent used for investigating the 13C NMR spectrum of compounds like methyl ethanoate, is CDCl₃ and other deuterated solvents.

13C nmr spectrum of methyl ethanoate C3H6O2 CH3COOCH3 analysis of chemical shifts ppm interpretation of C-13 chemical shifts ppm of methyl acetate 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 resonances, called chemical shifts, are measured with respect to the TMS, and depend on the individual (electronic) chemical environment of the ¹³C atoms in an organic molecule - methyl ethanoate here.

methyl ethanoate (methyl acetate), , , ,

The molecular structure and naming of carboxylic acids and derivatives

Interpreting the C-13 NMR spectrum of methyl ethanoate

As you can see from the diagram above there are 3 different ¹³C chemical shift lines in the C-13 NMR spectrum of methyl ethanoate indicating 3 different chemical environments of the ? carbon atoms of methyl ethanoate.

CH₃COOCH₃

(Note the 3 different colours indicating the 3 different chemical environments of the 3 carbon atoms in methyl ethanoate).

¹³C chemical shifts (a) to (c) on the C-13 NMR spectrum diagram for methyl ethanoate.

The carbon-13 NMR spectra provides direct evidence of 3 different carbon atom environments for the 3 carbon atoms in the methyl ethanoate molecule, deduced from the presence of 3 different 13C NMR chemical shifts (ppm).

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The infrared spectrum of methyl ethanoate (methyl acetate)

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