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2,4-Pentanedione

View entire compound with spectra: 63 NMR, 9 FTIR, 2 UV-Vis, 22 MS (GC), and 2 Near IR

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 EYZy5C9EVfe
Name ACETYLACETONE
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 E.V.BORISOV,E.V.SKORODUMOV,V.M.PACHEVSKAYA,P.E.HANSEN
Literature Reference Citation MAGN.RES.CHEM.,43,992(2005)
Literature Reference DOI 10.1002/mrc.1673
Molecular Weight 100.117 g/mol
Solvent CD2Cl2
Source File Reference UWLU36414