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3-Benzoyl-2,4-dioxo-pentanoic acid, methyl ester

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3-Benzoyl-2,4-dioxo-pentanoic acid, methyl ester
SpectraBase Compound ID BCGkFVvDIVA
InChI InChI=1S/C13H12O5/c1-8(14)10(12(16)13(17)18-2)11(15)9-6-4-3-5-7-9/h3-7,10H,1-2H3
InChIKey MJTUTFKTIYAEOR-UHFFFAOYSA-N
Mol Weight 248.23 g/mol
Molecular Formula C13H12O5
Exact Mass 248.068473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CKIuP5x1OAP
Name 3-Benzoyl-2,4-dioxo-pentanoic acid, methyl ester
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H12O5
InChI InChI=1S/C13H12O5/c1-8(14)10(12(16)13(17)18-2)11(15)9-6-4-3-5-7-9/h3-7,10H,1-2H3
InChIKey MJTUTFKTIYAEOR-UHFFFAOYSA-N
Instrument Name Bruker WH-270
Literature Reference M.L. Graziano, M.R. Iesce, R. Scarpati, J. Chem. Soc. Perkin I 241 (1989).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CD3OD