Substituent effects on 15N and 13C NMR chemical shifts of 3-phenylisoxazoles: A theoretical and spectroscopic study

Magnetic Resonance in Chemistry

Volumn 44, Issue 9, 2006, Pages 851-855

  Schofield, Mark H ^a,b   Sorel, Marie Adele ^a   Manalansan, Ryan J ^a   Richardson, David P ^a   Markgraf, J Hodge ^a  

^a WILLIAMS COLLEGE   (United States)

^b HAVERFORD COLLEGE   (United States)

Author keywords

3 phenylisoxazoles; 13C NMR; 15N NMR; Chemical shifts; DFT calculations; Electronic effects; Hammett correlation; HMBC; Natural resonance theory

Indexed keywords

DENSITY FUNCTIONAL THEORY; SPECTROSCOPIC ANALYSIS;

13C NMR; 15N NMR; 3-PHENYLISOXAZOLE; DFT CALCULATION; ELECTRONIC EFFECTS; HAMMETT CORRELATION; HMBC; NATURAL RESONANCE; NATURAL RESONANCE THEORY; PHENYLISOXAZOLES; RESONANCE THEORY;

CHEMICAL SHIFT;

CARBON; ISOXAZOLE DERIVATIVE; NITROGEN;

ARTICLE; CHEMISTRY; CONFORMATION; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; SYNTHESIS;

CARBON ISOTOPES; ISOXAZOLES; MAGNETIC RESONANCE SPECTROSCOPY; MOLECULAR CONFORMATION; NITROGEN ISOTOPES;

EID: 33748266654     PISSN: 07491581     EISSN: 1097458X     Source Type: Journal    
DOI: 10.1002/mrc.1860     Document Type: Article

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