Advanced pre-university organic chemistry: 13C NMR spectrum of butanone (2-butanone) CH3CH2COCH3

HOME PAGE * SEARCH * GCSE Level Chemistry age ~14-16 * Advanced Level Chemistry age ~16-19

Interpreting the Carbon-13 NMR spectrum of butanone (butan-2-one)

[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 butanone [updated Mar 20th 2026 *] [privacy policy, cookies & disclaimer]

 email doc brown  Re-edit 13C NMR spectrum of CH3COCH2CH3

 This is a BIG website, PLEASE take time to explore it

 Links associated with butanone

 C-13 NMR spectroscopy - spectra index

See also the Isomers of molecular formula C4H8O (Mr = 72)

Introductory note on the 13C NMR spectrum of butanone

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

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

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

C-13 nmr spectrum of butanone analysis of chemical shifts ppm interpretation of C-13 chemical shifts ppm of  2-butanone butan-2-one 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 - butanone here.

Butanone C4H8O,  aldehydes and ketones nomenclature (c) doc b , aldehydes and ketones nomenclature (c) doc b , aldehydes and ketones nomenclature (c) doc b , aldehydes and ketones nomenclature (c) doc b ketone

The molecular structure and naming of aldehydes and ketones

Interpreting the C-13 NMR spectrum of butanone

As you can see from the diagram above there are 4 chemical shift lines in the C-13 NMR spectrum of butanone indicating 4 different chemical environments of the carbon atoms.

CH3COCH2CH3

(Note the 4 colours indicating the 4 different chemical environment of the carbon atoms in butanone).

The 13C chemical shifts for butanone (a) to (d) on the diagram above.

(a) 13C NMR chemical shift of 29.4 ppm for the left methyl CH3 group carbon atom.

(b) 13C NMR chemical shift of 209.3 ppm for the C=O group carbon atom of the ketone group, the highest value for the carbon nearest away from the highly electronegative oxygen atom.

(c) 13C NMR chemical shift of 36.9 ppm for the CH2 carbon atom.

(d) 13C NMR chemical shift of 7.9 ppm for the methyl carbon CH3 atom, the lowest value for the carbon furthest away from the highly electronegative oxygen atom.

The C-13 NMR spectra a provides evidence of 4 different carbon atom environments in the butanone molecule from 4 different chemical shifts (ppm).

Key words & phrases: Interpreting the C-13 NMR spectra of butanone 2-butanone butan-2-one, C-13 nmr spectrum of butanone, understanding the carbon-13 nmr spectrum of butanone, explaining the line pattern in the high resolution C-13 nmr spectra of butanone, revising the C-13 nmr spectrum of butanone, ppm chemical shifts of the C-13 nmr spectrum of butanone, how to construct the diagram of the C-13 nmr spectrum of butanone, how to analyse the chemical shifts in the carbon-13 NMR spectrum of butanone 2-butanone butan-2-one How do you interpret the chemical shifts of the C-13 NMR spectrum of butanone How to interpret the C-13 NMR spectrum of butanone Explanatory diagram of the 13C C-13 carbon-13 NMR spectrum of the  number of different carbon atom environments in the butanone molecule from its carbon-13 NMR spectrum to help work out the molecular structure of the butanone molecule? The uses and distinctive features of the carbon-13 NMR spectrum of the butanone molecule explained. What do the number and values of the chemical shifts from the c-13 carbon-13 NMR spectrum tell us about the butanone molecule? explaining the decoupled carbon-13 NMR spectrum of butanone  with a detailed interpretation diagram of all the C-13 chemical shifts and intensities

Links associated with butanone

The infrared spectrum of butanone

The mass spectrum of butanone

The H-1 NMR spectrum of butanal (butyraldehyde)

The chemistry of ALDEHYDES and KETONES revision notes INDEX

C-13 NMR spectroscopy index

ALL SPECTROSCOPY INDEXES

All Advanced Organic Chemistry Notes

Use My Google search site box

Email doc b: chem55555@hotmail.com

Website content © Dr Phil Brown 2000+. All copyrights reserved on revision notes, images, quizzes, worksheets etc. Copying of Doc Brown's pre-university advanced level chemistry website material is NOT permitted. Exam revision summaries & references to science course specifications are unofficial. These organic chemistry revision notes on spectroscopy (on the 13C NMR spectrum of butanone) suitable for use of pre-university students studying AQA advanced level chemistry, Edexcel advanced level chemistry, OCR advanced level chemistry, IB advanced level chemistry, WJEC (Eduqas) advanced level chemistry, CIE advanced level chemistry, CCEA advanced level chemistry, US grade 11-12 AP honors chemistry courses and they will also prove useful to 1st year undergraduate students of chemistry.

TOP OF PAGE