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: Carbon-13 NMR spectrum of methyl ethanoate

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

Doc Brown's Chemistry Advanced Level Pre-University Chemistry Revision Study Notes for UK IB KS5 A/AS GCE advanced A level organic chemistry students US K12 grade 11 grade 12 organic chemistry courses involving molecular spectroscopy analysing C-13 NMR spectra of methyl ethanoate

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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), , , ,

Interpreting the C-13 NMR spectrum of methyl ethanoate

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