1,4-dioxane 1H proton nmr spectrum C4H8O2 low/high resolution analysis interpretation of chemical shifts ppm spin spin line splitting H-1 para-dioxane 1-H nmr explaining spin-spin coupling for line splitting doc brown's advanced organic chemistry revision notes

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Advanced Organic Chemistry: 1H NMR spectrum of 1,4-dioxane

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Interpreting the H-1 hydrogen-1 (proton) NMR spectrum of 1,4-dioxane

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 1,4-dioxane

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H-1 proton NMR spectroscopy - spectra index

1H proton nmr spectrum of 1,4-dioxane low/high resolution diagrams C4H8O2 analysis interpretation of chemical shifts ppm spin spin line splitting diagram H1 H-1 nmr for para-dioxane explaining spin-spin coupling for line splitting 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 resonances, called chemical shifts, are measured with respect to the TMS, and depend on the individual (electronic) chemical environment of the hydrogen atoms in an organic molecule - 1,4-dioxane here.

The chemical shifts quoted in ppm on the diagram of the H-1 NMR spectrum of 1,4-dioxane 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 1,4-dioxane molecule.

Interpreting the H-1 NMR spectrum of 1,4-dioxane

Chemical shift (a) on the H-1 NMR spectrum diagram for 1,4-dioxane.

Although there are ? hydrogen atoms in the molecule, there are only ? possible different chemical environments for the hydrogen atoms in 1,4-dioxane molecule.

The integrated signal proton ratio ?:? observed in the high resolution H-1 NMR spectrum, corresponds with the structural formula of 1,4-dioxane.

The high resolution 1H NMR spectrum of 1,4-dioxane

The ppm quoted on the diagram represent the peak of resonance intensity for a particular proton group in the molecule of 1,4-dioxane - since the peak' is at the apex of a band of H-1 NMR resonances due to spin - spin coupling field splitting effects - see high resolution notes on 1,4-dioxane below.

(a) ¹H Chemical shift 3.69 for ALL of the CH₂ protons.

Because of the high symmetry of the 1,4-dioxane molecule, all 4 protons are ALL equivalent to each other, so there is no splitting of the single proton resonance line - equivalent proton resonances don't 'split' each other.

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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H-1 proton NMR spectroscopy index (Please read 8 points at the top of the ¹H NMR index page)

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