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Towards the automatic analysis of 1H NMR spectra: Part 2. Accurate integrals and stoichiometry

✍ Scribed by Lee Griffiths

Publisher
John Wiley and Sons
Year
2001
Tongue
English
Weight
182 KB
Volume
39
Category
Article
ISSN
0749-1581

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✦ Synopsis

Abstract

A method was developed for the extraction of accurate NMR integrals, even where partially convoluted with other solute or solvent resonances, and then automatically allocating these to multiplets. The method yields an overall error of 7%, an assessment which includes a statistical distribution of overlapping and touching multiplets. A method was also developed to convert these multiplet integrals automatically from arbitrary units into protons, the overall error remaining at 7%. Copyright Β© 2001 John Wiley & Sons, Ltd.

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