b The mass spectra of seven homologous series of aromatic esters have been correlated with molecular structures. Both normal fragments and specific rearrangement fragments largely characterize these esters. The mass spectra can b e used for the identification of unknown esters and the analysis of these esters in mixtures.HE WIDE USE of mass spectrometry
An intensive study of the mass spectral characteristics of straight‐chain alkylbenzenes has been made in conjuction with their ultimate performance as sulfonates in heavy duty formulations. Two variables of the alkylates, carbon‐chain length distribution (which fixes the mean mol wt) and phenyl position on the chain, have been successfully related to the observed dishwashing performances. Formulas are given which allow accurately predicting this performance criteria. The important role of phenyl position is illustrated by a detailed study of each phenyl isomer in the tetradecylbenzene series.
Optically active octane 2-diazotate (160) was hydrolyzed with H2180. Product 2-octanol was converted to the l-acetyl lactate diastereomers, which were separated by glpc and analyzed for l80 content by mass spectroscopy. From the (glpc) stereochemical data and the lsO analyses, 2-octanol formation could be partitioned into four pathways: 160 conservation-retention, 160 conservation-inversion, 160 exchange-retention, and lsO exchange-inversion. The percentages corresponding to the above pathways, for the H2180 hydrolysis of dry octane 2-diazotate (leO) were 26.6, 16.7, 13.8, and 43.1%, respectively. The results are discussed in terms of an intermediate cationic 2-octyl moiety which largely fails to become symmetrically hydrated before collapse to 2-octanol. Consequences for the study of deamination reactions are highlighted.
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