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Shoolery's rule

Shoolery's rule, which is named after James Nelson Shoolery, is a good approximation of the chemical shift δ of methylene groups in proton nuclear magnetic resonance. We can calculate shift of the CH<sub>2</sub> protons in a A–CH<sub>2</sub>–B structure using the formula

where 0.23&nbsp;ppm is the chemical shift of methane and the empirical adjustments are based on the identities of the A and B groups:

Shoolery's rule is a particular instance of a general class of rules of the form

,

with two substituents on methylene resulting in two parameters and .

References

External links