Advanced Organic Chemistry: 13C NMR spectrum of but-1-ene CH3CH2CH=CH2

Interpreting and explaining the Carbon-13 NMR spectrum of but-1-ene (1-butene)

[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 spectrometry - analysing the 13C NMR spectra of butan-1ene [spectra page updated April 3rd 2026 *]

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 C-13 NMR spectroscopy - spectra index


Introductory note on the 13C NMR spectrum of but-1-ene

Students and teachers please note that my explanation of the carbon-13 NMR spectrum of but-1-ene is designed for advanced, but pre-university, chemistry courses.

The description does not involve the chemical shift δ spin-spin coupling effects for but-1-ene 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 but-1-ene molecule.

The most common solvent used for investigating the 13C NMR spectrum of compounds like but-1-ene, is CDCl3 and other deuterated solvents.

13C nmr spectrum of but-1-ene C4H8 CH3CH2CH=CH3 analysis of chemical shifts ppm interpretation of C-13 chemical shifts ppm of 1-butene 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 - but-1-ene here.

But-1-ene, alkenes structure and naming (c) doc b, alkenes structure and naming (c) doc b , alkene

The molecular structure and naming of alkenes

Interpreting the C-13 NMR spectrum of but-1-ene

As you can see from the diagram above there are 4 different 13C chemical shift lines in the C-13 NMR spectrum of but-1-ene indicating 4 different chemical environments of the 4 carbon atoms of but-1-ene.

H2C=CH-CH2-CH3

(Note the 4 different colours indicating the 4 different chemical environments of the 4 carbon atoms in but-1-ene).

13C chemical shifts (a) to (d) on the C-13 NMR spectrum diagram for but-1-ene.

(a) 113 ppm for the =CH2 carbon atom

(b) 140 ppm for the CH carbon atom

(c) 27 ppm for the -CH2- carbon atom

(d) 13 ppm for the -CH3 carbon atom

The carbon-13 NMR spectra provides direct evidence of 4 different carbon atom environments for the 4 carbon atoms in the but-1-ene molecule, deduced from the presence of 4 different 13C NMR chemical shifts (ppm).


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Links associated with but-1-ene

The chemistry of ALKENES revision notes INDEX

The infrared spectrum of but-1-ene

The mass spectrum of but-1-ene

The H-1 NMR spectrum of but-1-ene  (Please read 8 points at the top of the 1H NMR index page)

C-13 NMR spectroscopy index

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