C6H12 cyclohexane low high resolution 1H proton nmr spectrum of analysis interpretation of chemical shifts ppm spin spin line splitting H-1 cyclohexane 1-H nmr doc brown's advanced organic chemistry revision notes

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Advanced Organic Chemistry: 1H NMR spectrum of cyclohexane

The H-1 hydrogen-1 (proton) NMR spectrum of cyclohexane

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 H-1 NMR spectra of cyclohexane

C6H12 low and high resolution 1H proton nmr spectrum of cyclohexane analysis interpretation of chemical shifts ppm spin spin line splitting diagram H1 H-1 nmr for cyclohexane doc brown's advanced organic chemistry revision notes

TMS is the acronym for tetramethylsilane, formula Si(CH₃)₄, whose protons are arbitrarily given a chemical shift of 0.0 ppm. This is the 'standard' in ¹H NMR spectroscopy and all other proton shifts, called chemical shifts, depend on the individual (electronic) chemical environment of the hydrogen atoms in an organic molecule - cyclohexane here.

The chemical shifts quoted in ppm on the diagram of the H-1 NMR spectrum of cyclohexane represent the peaks of the intensity of the chemical shifts of (which are often groups of split lines at high resolution) AND the relative integrated areas under the peaks gives you the ratio of protons in the different chemical environments of the cyclohexane molecule.

Cyclohexane, C₆H₁₂ , , , all bond angles ~109^o

Interpreting the H-1 NMR spectrum of cyclohexane

The hydrogen atoms (protons) of cyclohexane occupy just one chemical environment shown by the observation of just one 1H NMR spectral line at 1.43 ppm.

Although there are 12 hydrogen atoms in the molecule, there is only one possible chemical environment for the hydrogen atoms in the cyclohexane molecule.

Number of directly adjacent protons ¹H causing splitting	Splitting pattern produced from the n+1 rule on spin-spin coupling and the theoretical ratio of line intensities
0 means no splitting							1
1 creates a doublet						1		1
2 creates a triplet					1		2		1
3 creates a quartet				1		3		3		1
4 creates a quintet			1		4		6		4		1
5 creates a sextet		1		5		10		10		5		1
6 creates a septet	1		6		15		20		15		6		1

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