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3. Chemical shifts - Positions of the resonance signals in the spectra

For the prediction of the NMR spectrum of a given molecule it is necessary to know the number of resonance signals. But it is obviously also necessary to know the position of these signals in the spectrum, that is, their chemical shift. Just as in case of the number of signals, it is also possible to make predictions about their position:

Equivalent protons give rise - due to their identical electronic environment - to chemical shifts.
If two protons have similar electronical environments, then their chemical shifts in an NMR spectrum will be .
For example, the signals of the protons in the two methyl groups -CH2-CH3 and >CH-CH3 will show chemical shifts.
The analysis of a large number of spectra showed that the signals of aliphatic methyl protons typically have a chemical shift d = 0,6 ... 1,9 ppm.
In contrast to this leads the completely different electronic environment of a carbonyl group -CHO als to a different value for the typical chemical shift. In that case d = 9,l ... l0 ppm for the proton of the aldehyde group.

An overview of the typical chemical shifts for the proton of important chemical groups is posted here.

In the following table we listed the typical values of the protons in a selection of chemical groups, using different scales. Fill in the blanks!

Protons dn [Hz] d [ppm]
R-CH2-R 468  
C6H5-H   7,3
R-CH2-Cl   3,7
(Spectrometer frequency n0 = 360 MHz)

Check your answers here!

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