Physical

How do you calculate nMR impurity finder?

Identify a 1H peak from its shift, or look up where a known compound appears (Fulmer table). The relationship used is nearest tabulated δ in the chosen solvent.

Worked example

Every number below is computed by the calculator, not typed in

What you are given

  • NMR solvent: Chloroform-d
  • Observed δ (ppm): 1.56

Formula: nearest tabulated δ in the chosen solvent

The working

  1. Solvent: Chloroform-d = CDCl3
  2. Observed: δ = 1.56 ppm
  3. Window: ± tolerance = 0.1 ppm
  4. Matches: within window = 1

Most likely: Water (H2O / HDO) (OH, δ 1.56, Δ 0)

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