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3-(2-Phenyl-acetyl)-5-methyl-tetronic acid

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3-(2-Phenyl-acetyl)-5-methyl-tetronic acid
SpectraBase Compound ID 3XVSjXWSEpC
InChI InChI=1S/C13H12O4/c1-8-12(15)11(13(16)17-8)10(14)7-9-5-3-2-4-6-9/h2-6,8,15H,7H2,1H3
InChIKey LNEVBQKVKWVFIX-UHFFFAOYSA-N
Mol Weight 232.23 g/mol
Molecular Formula C13H12O4
Exact Mass 232.073559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FIAw6yhqEYG
Name 3-(2-Phenyl-acetyl)-5-methyl-tetronic acid
CAS Registry Number 52599-74-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H12O4
InChI InChI=1S/C13H12O4/c1-8-12(15)11(13(16)17-8)10(14)7-9-5-3-2-4-6-9/h2-6,8,15H,7H2,1H3
InChIKey LNEVBQKVKWVFIX-UHFFFAOYSA-N
Instrument Name Jeol FX-60
Literature Reference J.P. Jacobsen, T. Reffstrup, P.M.Boll, Acta Chem. Scand. B31, 756 (1977).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3