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2-Phenyl-acetoacetic acid, ethyl ester
SpectraBase Compound ID HQhWcI5zhXU
InChI InChI=1S/C12H14O3/c1-3-15-12(14)11(9(2)13)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3
InChIKey PWRUKIPYVGHRFL-UHFFFAOYSA-N
Mol Weight 206.24 g/mol
Molecular Formula C12H14O3
Exact Mass 206.094294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1dHLlj14iB1
Name 2-Phenyl-acetoacetic acid, ethyl ester
CAS Registry Number 5413-05-8
Comments MIXTURE OF KETO- AND ENOL-FORM ASSIGNMENT OF PHENYL-RESONANCES TENTATIVE SHIFTS OF 19.4 AND 28.2 PPM EXCHANGED BETWEEN BOTH ISOMERS
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H14O3
InChI InChI=1S/C12H14O3/c1-3-15-12(14)11(9(2)13)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3
InChIKey PWRUKIPYVGHRFL-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference K.P. Zeller, Monatsh. Chem. 110, 393 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3