University13 min

¹H and ¹³C NMR: from spectrum to structure

Chemical shift, integration, the n+1 rule: the three readings of a ¹H spectrum, in order, to work back to the structure without guesswork.

The essentials

1

Chemical shift

δ=ννTMSν0×106\delta = \frac{\nu - \nu_{\text{TMS}}}{\nu_0} \times 10^6 in ppm, with ν0\nu_0 the spectrometer frequency; TMS sets δ=0\delta = 0. δ\delta does not depend on the instrument. An electronegative neighbour (O, halogen, C=O) thins the electron cloud that shields the nucleus: the proton is deshielded, δ\delta goes up.
2

The ¹H ranges to know

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3

Integration

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4

Multiplicity: the n + 1 rule

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5

¹³C NMR

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