C7H16 C-13 nmr spectrum of 3,3-dimethylpentane analysis of chemical shifts ppm interpretation of 13C chemical shifts ppm of 3,3-dimethylpentane C13 13-C nmr doc brown's advanced organic chemistry revision notes

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Advanced Organic Chemistry: Carbon-13 NMR spectrum of 3,3-dimethylpentane

The Carbon-13 NMR spectrum of 3,3-dimethylpentane

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 3,3-dimethylpentane

C7H16 C-13 nmr spectrum of 3,3-dimethylpentane analysis of chemical shifts ppm interpretation of 13C chemical shifts ppm of 3,3-dimethylpentane 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 - 3,3-dimethylpentane here.

3,3-dimethylpentane C₇H₁₆

Interpreting the C-13 NMR spectrum of 3,3-dimethylpentane

As you can see from the diagram above there are 4 different chemical shift lines in the C-13 NMR spectrum of 3,3-dimethylpentane indicating 4 different chemical environments of the carbon atoms.

CH₃CH₂C(CH₃)₂CH₂CH₃

(Note the 4 different colours indicating the 4 different chemical environments of the carbon atoms in 3,3-dimethylpentane).

Chemical shifts (a) to (d) on the C-13 NMR spectrum diagram for 3,3-dimethylpentane.

The carbon-13 NMR spectra a provides direct evidence of 4 different carbon atom environments for the 7 carbon atoms in the 3,3-dimethylpentane molecule, deduced from the presence of 4 different 13C chemical shifts (ppm).

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