Substituent effects on 1H and 13C NMR chemical shifts in α-monosubstituted ethyl acetates: Principal component analysis and 1H chemical shift calculations

Magnetic Resonance in Chemistry

Volumn 40, Issue 7, 2002, Pages 449-454

  Tasic, Ljubica ^a   Abraham, Raymond J ^b   Rittner, Roberto ^a  

^a UNIVERSITY OF CAMPINAS   (Brazil)

^b UNIVERSITY OF LIVERPOOL   (United Kingdom)

Author keywords

13C; 1H; 1H chemical shift calculations; NMR; Principal component analysis; Substituent effects; monosubstituted ethyl acetates

Indexed keywords

ATOMS; CHEMICAL SHIFT; DIHEDRAL ANGLE; ELECTRONEGATIVITY; HALOGENATION; HYDROGEN;

13C; 1H; 1H CHEMICAL SHIFT CALCULATION; ETHYL-ACETATE; HYDROGEN ATOMS; NMR CHEMICAL SHIFTS; PRINCIPAL-COMPONENT ANALYSIS; ROTAMERS; SUBSTITUENT EFFECT; Α-MONOSUBSTITUTED ETHYL ACETATE;

PRINCIPAL COMPONENT ANALYSIS;

ACETIC ACID DERIVATIVE; ACETIC ACID ETHYL ESTER; BROMINE DERIVATIVE; CHLORINE DERIVATIVE; FLUORINE DERIVATIVE; IODINE DERIVATIVE; OXYGEN DERIVATIVE;

ARTICLE; CALCULATION; CARBON NUCLEAR MAGNETIC RESONANCE; CHEMICAL COMPOSITION; CONFORMATIONAL TRANSITION; HALOGENATION; PROTON NUCLEAR MAGNETIC RESONANCE;

EID: 0142103157     PISSN: 07491581     EISSN: None     Source Type: Journal    
DOI: 10.1002/mrc.1046     Document Type: Article

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