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3-BUTYRYL-4-HYDROXY-5-METHYL-2(5H)-FURANONE

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3-BUTYRYL-4-HYDROXY-5-METHYL-2(5H)-FURANONE
SpectraBase Compound ID Id7PyjJhtmy
InChI InChI=1S/C9H12O4/c1-3-4-6(10)7-8(11)5(2)13-9(7)12/h5,11H,3-4H2,1-2H3
InChIKey UWCCYQLVTIOBLI-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 KFfCG80rwXA
Name 3-Butyryl-5-methyl-tetronic acid
CAS Registry Number 52599-72-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H12O4
InChI InChI=1S/C9H12O4/c1-3-4-6(10)7-8(11)5(2)13-9(7)12/h5,11H,3-4H2,1-2H3
InChIKey UWCCYQLVTIOBLI-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 TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CD3OD