1H Chemical Shift Prediction

This application uses chemical shift substituent constants to predict the chemical shift for a proton in your compound. Only aliphatic shifts are available. Choose a functional group and then a substitution type for each substituent. The diagram below will help you determine the substitution type for your substiutents. Several examples are available.


First, pick a functional group:
Then, click on a substiutent field:
Alpha Substituents:
Beta Substituents:
Gamma Substituents:

NMR Chemical Shift:
Your chemical shift: ppm +- 0.5 ppm

Literature Reference

Colby College Chemistry