Mass Spectra of β-Keto Esters
Larry Weiler
Abstract
Larry Weiler
Abstract
The mass spectra of several γ-substituted β-keto esters have been recorded and interpreted. The fragmentation patterns are compared to those of α-substituted β-keto esters and are found to be very useful in differentiating the α- and γ-substituted isomers. The mass spectral fragmentation schemes are dominated by cleavages α to the carbonyl groups and by McLafferty rearrangements.
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The mass spectra of several γ-substituted β-keto esters have been recorded and interpreted. The fragmentation patterns are compared to those of α-substituted β-keto esters and are found to be very useful in differentiating the α- and γ-substituted isomers. The mass spectral fragmentation schemes are dominated by cleavages α to the carbonyl groups and by McLafferty rearrangements.
Key concepts: Chemistry, Fragmentation (computing), Mass spectrum, Spectral line, Mass spectrometry, Computational chemistry, Stereochemistry, Medicinal chemistry