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3-Isobutyryl-5-methyl-tetronic acid
SpectraBase Compound ID EsHU0ZYKPGW
InChI InChI=1S/C9H12O4/c1-4(2)7(10)6-8(11)5(3)13-9(6)12/h4-5,11H,1-3H3
InChIKey FWBKIEYKFJPACD-UHFFFAOYSA-N
Mol Weight 184.19 g/mol
Molecular Formula C9H12O4
Exact Mass 184.073559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F8HWWHl1NwW
Name 3-Isobutyryl-5-methyl-tetronic acid
CAS Registry Number 52599-73-2
Comments BETA-FORM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H12O4
InChI InChI=1S/C9H12O4/c1-4(2)7(10)6-8(11)5(3)13-9(6)12/h4-5,11H,1-3H3
InChIKey FWBKIEYKFJPACD-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