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NMR spectra: case of 1H (I = ½)

Example of NMR spectrum for ethanol. On the abscissa the delta chemical shift axis. On the spectrum are visible 3 series of peaks: a singlet (1 peak), a quadruplet (4 peaks) and a triplet (3 peaks). They correspond respectively to OH, CH2 and CH3.

The intensity of the magnetic fields B0 used for NMR experiments can be very diverse (from 5.9 to 14.1 T, corresponding to a respective frequency of resonance of the 1H from 250 to 600 MHz in routine). It is therefore not possible to express the chemical shifts of the protons in frequency if the spectra have not been acquired with the same range of B0 field. In order not to depend on B0 and make this comparison, a reference is used. In proton NMR, tetramethylsilane (TMS or Si(CH3)4) is used as a reference. The chemical shift is given by the following equation: Chemical shift equation (expressed in ppm).

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