Interpreting The C-13 NMR Spectrum Of Propyl Methanoate

Interpreting and explaining the Carbon-13 NMR spectrum of propyl methanoate (propyl formate)

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C-13 NMR spectroscopy - spectra index

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

The description does not involve the chemical shift δ spin-spin coupling effects for propyl methanoate 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 propyl methanoate molecule.

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

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 - propyl methanoate here.

Propyl methanoate (propyl formate)

The molecular structure and naming of carboxylic acids and derivatives

Interpreting the C-13 NMR spectrum of propyl methanoate

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

HCOOCH2CH2CH3

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

13C chemical shifts (a) to (d) on the C-13 NMR spectrum diagram for propyl methanoate.

Note the decreasing effect on the 13C chemical shift as the carbon atom is further from the more electronegative oxygen atoms in the propyl group of propyl methanoate.

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

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Links associated with propyl methanoate

The infrared spectrum of propyl methanoate (propyl formate)

The mass spectrum of propyl methanoate (propyl formate)

The H-1 NMR spectrum of propyl methanoate (propyl formate)

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