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A General Approach for Calculating Proton Chemical Shifts for Methyl, Methylene and Methine Protons When There Are One or More Substituents within Three Carbons

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Philip S. Beauchamp and Rodolfo Marquez

California State Polytechnic University, Department of Chemistry, 3801 West Temple Avenue, Pomona, CA 91768-4032

J. Chem. Educ., 1997, 74 (12), p 1483

DOI: 10.1021/ed074p1483

Publication Date (Web): December 1, 1997

Section:

History, Education, and Documentation

Abstract

A general method is provided to calculate chemical shifts for protons attached to sp³ carbons (methyl, methylene and methine). the approach is similar to rules developed by J. N. Shoolery in 1959. His rules are extended to allow calculations of proton chemical shifts in molecules that have multiple substituents within three carbons of the calculated proton chemical shifts.

Keywords (Audience):

Upper-Division Undergraduate

Keywords (Domain):

Organic Chemistry

Keywords (Subject):

NMR Spectroscopy

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This article has been cited by 6 ACS Journal articles (5 most recent appear below).

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