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Advanced Organic Chemistry: Carbon-13 NMR spectrum of 2,2-dimethylbutane

The Carbon-13 NMR spectrum of 2,2-dimethylbutane

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 2,2-dimethylbutane

C-13 nmr spectrum of 2,2-dimethylbutane analysis of chemical shifts ppm interpretation of C-13 chemical shifts ppm of 2,2-dimethylbutane 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 shifts, called chemical shifts, depend on the individual (electronic) chemical environment of the 13C atoms in an organic molecule - 2,2-dimethylbutane here.

 2,2-dimethylbutane C6H14, 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 2,2-dimethylbutane

As you can see from the diagram above there are 4 different chemical shift lines in the C-13 NMR spectrum of 2,2-dimethylbutane indicating 4 different chemical environments of the carbon atoms.

(CH3)3CCH2CH3 

(Note the 4 colours indicating the 4 different chemical environments of the carbon atoms in 2,2-dimethylbutane).

The carbon-13 NMR spectra a provides direct evidence of 4 different carbon atom environments in the 2,2-dimethylbutane molecule from 4 different chemical shifts (ppm).


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