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6,7-Dihydro-5-oxo-2(5H)-oxepinone
SpectraBase Compound ID EUMrZMA5v9T
InChI InChI=1S/C6H6O3/c7-5-1-2-6(8)9-4-3-5/h1-2H,3-4H2
InChIKey XEMBKBFJHOTOMM-UHFFFAOYSA-N
Mol Weight 126.11 g/mol
Molecular Formula C6H6O3
Exact Mass 126.031694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4yn5f4lAcT3
Name 6,7-DIHYDRO-5-OXO-2(5H)-OXEPINONE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H6O3
InChI InChI=1S/C6H6O3/c7-5-1-2-6(8)9-4-3-5/h1-2H,3-4H2
InChIKey XEMBKBFJHOTOMM-UHFFFAOYSA-N
Literature Reference Author F.BUSQUE,P.CID,P.DEMARCH,M.FIGUEREDO,J.FONT
Literature Reference Citation HETEROCYCLES,40,387(1995)
Literature Reference DOI 10.3987/COM-94-S49
Molecular Weight 126.112 g/mol
Solvent CDCl3
Source File Reference UWCP2875