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17O NMR and molecular mechanical studies of arylmethylenemalonaldehydes

✍ Scribed by Erkki Kolehmainen; Vladimir Král

Publisher: John Wiley and Sons
Year: 1990
Tongue: English
Weight: 442 KB
Volume: 28
Category: Article
ISSN: 0749-1581
DOI: 10.1002/mrc.1260280904

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✦ Synopsis

Abstract

The ^17^O NMR spectra of six different arylmethylenemalonaldehydes were measured for various solvents and temperatures. The ^17^O NMR chemical shifts and line widths of the carbonyl oxygens of the malonaldehyde fragment show a clear variation in the series of monoaryl compounds studied. The differences between the ^17^O NMR chemical shifts of the formyl oxygens correlate well with two conformationally dependent ^1^H–^1^H and ^1^H–^13^C coupling constants for the same compounds. Molecular mechanical calculations were also performed in order to relate the present data with the conformational preferences of the malonaldehyde fragment of the arylmethylenemalonaldehydes.

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