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3-Propionyl-5-methyl-tetronic acid
SpectraBase Compound ID 6rP60XoPntm
InChI InChI=1S/C8H10O4/c1-3-5(9)6-7(10)4(2)12-8(6)11/h4,10H,3H2,1-2H3
InChIKey WKCYPCMZTINUBF-UHFFFAOYSA-N
Mol Weight 170.16 g/mol
Molecular Formula C8H10O4
Exact Mass 170.057909 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6sdjoEvJoMJ
Name 3-Propionyl-5-methyl-tetronic acid
CAS Registry Number 52599-71-0
Comments BETA-FORM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H10O4
InChI InChI=1S/C8H10O4/c1-3-5(9)6-7(10)4(2)12-8(6)11/h4,10H,3H2,1-2H3
InChIKey WKCYPCMZTINUBF-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