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2,4-Pentanedione
SpectraBase Compound ID 6dbyP4ZvlVQ
InChI InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3
InChIKey YRKCREAYFQTBPV-UHFFFAOYSA-N
Mol Weight 100.12 g/mol
Molecular Formula C5H8O2
Exact Mass 100.052429 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JxUWT12yBcK
Name 2,4-PENTANE-DIONE;(KETO-FORM)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C5H8O2
InChI InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3
InChIKey YRKCREAYFQTBPV-UHFFFAOYSA-N
Literature Reference Author M.VANDUIN,J.A.PETERS,A.SINNEMA,A.P.G.KIEBOOM,H.VANBEKKUM
Literature Reference Citation REC.TR.CH.P.-B.,106,495(1987)
Literature Reference DOI 10.1002/recl.19871060904
Molecular Weight 100.117 g/mol
Solvent DMSO-D6
Source File Reference UWED4311