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Computer-aided structure elucidation Pt. 2. /sup 1/H-NMR data interpretation

Journal Article:

Abstract

A computerized /sup 1/H-NMR data interpretation system has been developed using the artificial intelligence approach. An attempt has been made to overcome the difficulties of interpreting higher order spin systems. Proton-containing functional groups are divided into subgroups according to their spectroscopic behaviour and the information they bear. Spin simulation is used to study the effect of substituents on the higher order splitting patterns. Illustrative examples are given.
Authors:
Szalontai, G; Recsey, Zs; Csapo, Z [1] 
  1. Nehezvegyipari Kutato Intezet, Veszprem (Hungary)
Publication Date:
Jan 01, 1982
Product Type:
Journal Article
Reference Number:
AIX-14-769819; EDB-83-161131
Resource Relation:
Journal Name: Acta Chim. Acad. Sci. Hung.; (Hungary); Journal Volume: 111:3; Other Information: 9 refs
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; HYDROGEN 1; NUCLEAR MAGNETIC RESONANCE; NMR SPECTRA; COMPUTER CALCULATIONS; DATA ANALYSIS; ORGANIC COMPOUNDS; A CODES; CHEMICAL SHIFT; COMPUTERIZED SIMULATION; DATA PROCESSING; FLOWSHEETS; PROTONS; RADICALS; SPIN; STRUCTURAL CHEMICAL ANALYSIS; ANGULAR MOMENTUM; BARYONS; COMPUTER CODES; DIAGRAMS; ELEMENTARY PARTICLES; FERMIONS; HADRONS; HYDROGEN ISOTOPES; ISOTOPES; LIGHT NUCLEI; MAGNETIC RESONANCE; NUCLEI; NUCLEONS; ODD-EVEN NUCLEI; PARTICLE PROPERTIES; PROCESSING; RESONANCE; SIMULATION; SPECTRA; STABLE ISOTOPES; 400301* - Organic Chemistry- Chemical & Physicochemical Properties- (-1987)
OSTI ID:
5782866
Country of Origin:
Hungary
Language:
English
Other Identifying Numbers:
Journal ID: CODEN: ACASA
Submitting Site:
HEDB
Size:
Pages: 239-247
Announcement Date:

Journal Article:

Citation Formats

Szalontai, G, Recsey, Zs, and Csapo, Z. Computer-aided structure elucidation Pt. 2. /sup 1/H-NMR data interpretation. Hungary: N. p., 1982. Web.
Szalontai, G, Recsey, Zs, & Csapo, Z. Computer-aided structure elucidation Pt. 2. /sup 1/H-NMR data interpretation. Hungary.
Szalontai, G, Recsey, Zs, and Csapo, Z. 1982. "Computer-aided structure elucidation Pt. 2. /sup 1/H-NMR data interpretation." Hungary.
@misc{etde_5782866,
title = {Computer-aided structure elucidation Pt. 2. /sup 1/H-NMR data interpretation}
author = {Szalontai, G, Recsey, Zs, and Csapo, Z}
abstractNote = {A computerized /sup 1/H-NMR data interpretation system has been developed using the artificial intelligence approach. An attempt has been made to overcome the difficulties of interpreting higher order spin systems. Proton-containing functional groups are divided into subgroups according to their spectroscopic behaviour and the information they bear. Spin simulation is used to study the effect of substituents on the higher order splitting patterns. Illustrative examples are given.}
journal = {Acta Chim. Acad. Sci. Hung.; (Hungary)}
volume = {111:3}
journal type = {AC}
place = {Hungary}
year = {1982}
month = {Jan}
}