Analysis of seven-membered lactones by computational nmr methods: Proton NMR chemical shift data are more discriminating than carbon

Journal of Organic Chemistry

Volumn 79, Issue 2, 2014, Pages 752-758

  Marell, Daniel J ^a   Emond, Susanna J ^a   Kulshrestha, Aman ^a   Hoye, Thomas R ^a  

^a University of Minnesota   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON; ESTERS; ISOMERS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; ORBITAL CALCULATIONS; PROTONS; STEREOCHEMISTRY;

CONFORMATIONAL ANALYSIS; DIASTEREOMERIC; DIASTEREOMERS; GEOMETRY OPTIMIZATION; LINEAR CORRECTIONS; MEAN ABSOLUTE ERROR; NMR CHEMICAL SHIFTS; PROTON NMR;

CHEMICAL SHIFT;

LACTONE;

ANALYTICAL ERROR; ARTICLE; AVERAGING; CARBON NUCLEAR MAGNETIC RESONANCE; CONTROLLED STUDY; CORRECTED MEAN ABSOLUTE ERROR; DENSITY FUNCTIONAL THEORY; DIASTEREOISOMER; INTERMETHOD COMPARISON; PROCESS OPTIMIZATION; PROTON NUCLEAR MAGNETIC RESONANCE; STEREOISOMERISM;

CARBON; LACTONES; MAGNETIC RESONANCE SPECTROSCOPY; MOLECULAR CONFORMATION; PROTONS; QUANTUM THEORY; REFERENCE STANDARDS;

EID: 84896692997     PISSN: 00223263     EISSN: 15206904     Source Type: Journal    
DOI: 10.1021/jo402627s     Document Type: Article

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