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Acetoacetic acid, methyl ester anion
SpectraBase Compound ID HEo4lLhAzSc
InChI InChI=1S/C5H7O3/c1-4(6)3-5(7)8-2/h3H,1-2H3/q-1
InChIKey AFWZBGNVBJXTRN-UHFFFAOYSA-N
Mol Weight 115.11 g/mol
Molecular Formula C5H7O3
Exact Mass 115.039519 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 75I6Ws2Sofr
Name Acetoacetic acid, methyl ester anion
CAS Registry Number 53519-67-8
Comments ME2SO (39.5 PPM) EXTERNAL REFERENCE, NA SALT
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C5H7O3
InChI InChI=1S/C5H7O3/c1-4(6)3-5(7)8-2/h3H,1-2H3/q-1
InChIKey AFWZBGNVBJXTRN-UHFFFAOYSA-N
Literature Reference E. Barchiesi, S. Bradamante, R. Ferraccioli, J. Chem. Soc. Perkin II 375 (1990).
NMR Standard see comment
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CH3OH