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Advanced Organic Chemistry: Carbon-13 NMR spectrum of but-1-ene

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

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 but-1-ene

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

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

As you can see from the diagram above there are 4 different 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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