ISSN:
0749-1581
Keywords:
17O NMR
;
Methyl benzoates
;
Substituent effects
;
Chemistry
;
Analytical Chemistry and Spectroscopy
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
Oxygen-17 NMR spectra of 45 substituted methyl benzoates in acetonitrile were measured at natural abundance. The substituent-induced chemical shifts (SCS) of the carbonyl oxygen correlate well with the σm and σp+ substituent constants in two separate correlations for meta and para derivatives; principal component analysis (PCA) is only slightly better [particularly for the N(CH3)2 substituent]. The 17O SCS generally depend on the same factors as the 13C SCS of the β-carbon of alkenes, provided comparison is made between compounds of similar polarity. SCS of the methoxyl oxygen depend less precisely on σm or σp, with some unexplained deviations.
Additional Material:
3 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/mrc.1260300505
