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Advanced Organic Chemistry: Carbon-13 NMR spectrum of Pentane

Carbon-13 NMR spectrum of Pentane

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

C-13 nmr spectrum of pentane analysis of chemical shifts ppm interpretation of C-13 chemical shifts ppm of pentane diagram 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 - pentane here.

Pentane  C5H12, alkanes structure and naming (c) doc b , alkanes structure and naming (c) doc b , alkanes structure and naming (c) doc b

Interpreting the C-13 NMR spectrum of Pentane

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

CH3CH2CH2CH2CH3  (note the 3 different colours of the carbon atoms in pentane)

Although there are five carbon atoms in the molecule, pentane is a symmetrical molecule with only three possible chemical environment for the carbon atoms, so three chemical shifts are observed in C-13 NMR spectrum.


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