Advanced Organic Chemistry: Carbon-13 NMR spectrum of 1-iodopropane CH3CH2CH2I

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Interpreting and explaining the Carbon-13 NMR spectrum of 1-iodopropane (n-propyl iodide)

[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 1-iodopropane (13C NMR spectra) [spectra page updated Mar 30th 2026 *]

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 C-13 NMR spectroscopy - spectra index

Introductory note on the 13C NMR spectrum of 1-iodopropane

Students and teachers please note that my explanation of the carbon-13 NMR spectrum of 1-iodopropane is designed for advanced, but pre-university, chemistry courses.

The description does not involve the chemical shift δ spin-spin coupling effects for 1-iodopropane and the relative size of the carbon-13 NMR shifts does not give the ratio of the carbon atoms in the different non-equivalent chemical environments of the 1-iodopropane molecule.

The most common solvent used for investigating the 13C NMR spectrum of compounds like 1-iodopropane, is CDCl3 and other deuterated solvents.

13C nmr spectrum of 1-iodopropane C3H7I CH3CH2CH2I analysis of chemical shifts ppm interpretation of C-13 chemical shifts ppm of propyl iodide 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 - 1-iodopropane here.

1-iodopropane, C3H7I, CH3CH2CH2I, CH3-CH2-CH2-I

The molecular structure and naming of haloalkanes

Interpreting the C-13 NMR spectrum of 1-iodopropane

As you can see from the diagram above there are 3 different 13C chemical shift lines in the C-13 NMR spectrum of 1-iodopropane indicating 3 different chemical environments of the 3 carbon atoms of 1-iodopropane.

CH3-CH2-CH2-I

(Note the 3 different colours indicating the 3 different chemical environments of the 3 carbon atoms in 1-iodopropane).

13C chemical shifts (a) to (c) on the C-13 NMR spectrum diagram for 1-iodopropane.

(a) The 13C NMR chemical shift of 15.3 ppm for the methyl group carbon atom.

(b) The 13C NMR chemical shift of 26.9 ppm for the 'middle' CH2 group carbon atom.

(c) The 13C NMR chemical shift of 9.2 ppm for the CH2 group carbon atom attached to the iodine atom.

The carbon-13 NMR spectra provides direct evidence of 3 different carbon atom environments for the 3 carbon atoms in the 1-iodopropane molecule, deduced from the presence of 3 different 13C NMR chemical shifts (ppm).

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Links associated with 1-iodopropane

The chemistry of HALOGENOALKANES (haloalkanes) revision notes INDEX

The infrared spectrum of 1-iodopropane (n-propyl iodide)

The mass spectrum of 1-iodopropane (n-propyl iodide)

The H-1 NMR spectrum of 1-iodopropane (n-propyl iodide)

C-13 NMR spectroscopy index

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