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Acetoacetic acid
SpectraBase Compound ID 84FavRVu72Q
InChI InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)
InChIKey WDJHALXBUFZDSR-UHFFFAOYSA-N
Mol Weight 102.09 g/mol
Molecular Formula C4H6O3
Exact Mass 102.031694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EqTIe6dbVi6
Name ACETOACETIC-ACID
CAS Registry Number 541-50-4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C4H6O3
InChI InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)
InChIKey WDJHALXBUFZDSR-UHFFFAOYSA-N
Literature Reference Author K.D.GRANDE,S.M.ROSENFELD
Literature Reference Citation J.ORG.CHEM.,45,1626(1980)
Literature Reference DOI 10.1021/jo01297a017
Molecular Weight 102.090 g/mol
Solvent CDCl3
Source File Reference UNIW17707