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Tautomeric and conformational properties of dimethyl malonate, CH3OC(O)–CH2–C(O)OCH3: electron diffraction and quantum chemical study

✍ Scribed by Natalya V. Belova; Heinz Oberhammer; Georgiy V. Girichev


Publisher
Elsevier Science
Year
2004
Tongue
English
Weight
141 KB
Volume
689
Category
Article
ISSN
0022-2860

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The tautomeric equilibria of the b-ketoesters [CH 3 C(O)CH 2 C(O)OCH 3 (I), CH 3 C(O)CHClC(O)OCH 3 (II), CH 3 C(O)CH 2 C(O)OCH 2 CH 3 (III) and CH 3 C(O)CHClC(O)OCH 2 CH 3 (IV)] were studied by NMR spectroscopy and, in the case of I and II, by quantum chemical calculations (ab initio and density fun