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JGAAAWQBYJNOIW-UHFFFAOYSA-N
SpectraBase Compound ID 4vYWD6Npgwq
InChI InChI=1S/C5H6O3/c1-3-4(6)2-5(7)8-3/h2-3,6H,1H3
InChIKey JGAAAWQBYJNOIW-UHFFFAOYSA-N
Mol Weight 114.1 g/mol
Molecular Formula C5H6O3
Exact Mass 114.031694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2uiCqgKE8Fw
Name 5-Methyl-tetronic acid
CAS Registry Number 40420-88-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C5H6O3
InChI InChI=1S/C5H6O3/c1-3-4(6)2-5(7)8-3/h2-3,6H,1H3
InChIKey JGAAAWQBYJNOIW-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