Advanced Organic Chemistry: Carbon-13 NMR spectrum of octane CH3(CH2)6CH3

HOME PAGE * SEARCH * GCSE Level Chemistry age ~14-16 * Advanced Level Chemistry age ~16-19

Interpreting and explaining the Carbon-13 NMR spectrum of octane

[Author © Dr Phil Brown PhD: Doc Brown's advanced level organic chemistry exam revision notes suitable for students of UK A level chemistry courses & US K12 grade 11, grade 12 and AP honors chemistry courses: Molecular spectroscopy analysis of octane [spectra page updated Mar 25th 2026 *]

 email doc brown Re-edit 13C NMR spectrum of H3C(CH2)6CH3

This is a BIG website, PLEASE take time to explore it

 Associated links for octane  *  [privacy policy, cookies and disclaimer]

C-13 NMR spectroscopy - spectra index


Introductory note on the 1H NMR spectra of octane

Students and teachers please note my explanation of the proton NMR spectrum of octane is designed for advanced, but pre-university, chemistry courses.

The chemical shift δ splitting pattern effects for octane are confined to a proton spin-spin coupling effects analysed using the n+1 rule for adjacent non-equivalent proton fields (n is the number of neighbouring protons in a non-equivalent different chemical environment for the octane molecule).

It is assumed that the integrated intensities of the 1H NMR δ chemical shifts give the ratio of the protons in the different non-equivalent chemical environments of the octane molecule.

The most common solvent used for investigating the 1H NMR spectrum of compounds like octane, is CDCl3 and other deuterated solvents to avoid confusion with a 1H NMR signal, 2D (2H) has a different NMR chemical shift.

C8H18 C-13 nmr spectrum of octane analysis of chemical shifts ppm interpretation of 13C chemical shifts ppm of n-octane 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 - octane here.

Octane, C8H18, CH3(CH2)6CH3, CH3CH2CH2CH2CH2CH2CH2CH3, alkane  

an alkane  The molecular structure and naming of alkanes

Interpreting the C-13 NMR spectrum of octane

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

CH3CH2CH2CH2CH2CH2CH2CH3 

(Note the 4 colours indicating the 4 different chemical environments of the carbon atoms in octane).

Chemical shifts (a) to (d) on the C-13 NMR spectrum diagram for octane and they are all relatively close together.

There are four pairs of carbon atoms with the same chemical environment due to the symmetry of the linear alkane molecule of octane.

All 13C NMR chemical shifts (a) to (d) are typical values for alkyl group carbon atoms and relatively close together.

The carbon-13 NMR spectra a provides direct evidence of 4 different carbon atom environments for the 8 carbon atoms in the octane molecule, deduced from the presence of 4 different 13C chemical shifts (ppm).


Key words & phrases: C8H18 Interpreting the C-13 NMR spectra of octane, C-13 nmr spectrum of octane, understanding the carbon-13 nmr spectrum of octane, explaining the line pattern in the high resolution C-13 nmr spectra of octane, revising the C-13 nmr spectrum of octane, ppm chemical shifts of the C-13 nmr spectrum of octane, how to construct the diagram of the C-13 nmr spectrum of octane, how to analyse the chemical shifts in the carbon-13 NMR spectrum of octane deducing the chemical environment of all the carbon atoms in octane examining the c13 nmr spectrum of  octane analysing the 13-c nmr spectrum of octane how do you sketch and interpret the C-13 NMR spectrum of octane interpreting interpretation of the C-13 NMR spectrum of octane 13C NMR spectrum of octane How do you interpret the chemical shifts of the C-13 NMR spectrum of n-octane How to interpret the C-13 NMR spectrum of n-octane Explanatory diagram of the 13C C-13 carbon-13 NMR spectrum of the  number of different carbon atom environments in the n-octane molecule from its carbon-13 NMR spectrum to help work out the molecular structure of the n-octane molecule? The uses and distinctive features of the carbon-13 NMR spectrum of the n-octane molecule explained. What do the number and values of the chemical shifts from the c-13 carbon-13 NMR spectrum tell us about the n-octane molecule? explaining the decoupled carbon-13 NMR spectrum of n-octane  with a detailed interpretation diagram of all the C-13 chemical shifts and intensities


What next? links associated with octane

The infrared spectrum of octane

The mass spectrum of octane

The H-1 NMR spectrum of octane

The chemistry of ALKANES revision notes INDEX

C-13 NMR spectroscopy index

ALL SPECTROSCOPY INDEXES

All Advanced Organic Chemistry Notes

Use My Google search site box

Email doc b: chem55555@hotmail.com


Website content © Dr Phil Brown 2000+. All copyrights reserved on revision notes, images, quizzes, worksheets etc. Copying of Doc Brown's pre-university advanced level chemistry website material is NOT permitted. Exam revision summaries & references to science course specifications are unofficial. These organic chemistry revision notes on spectroscopy are suitable for use of pre-university students studying AQA advanced level chemistry, Edexcel advanced level chemistry, OCR advanced level chemistry, IB advanced level chemistry, WJEC (Eduqas) advanced level chemistry, CIE advanced level chemistry, CCEA advanced level chemistry, US grade 11-12 AP honors chemistry courses and they will also prove useful to 1st year undergraduate students of chemistry.

TOP OF PAGE