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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 64nKM3UNLLW
Name Acetylacetone keto-form
CAS Registry Number 123-54-6
Comments EXTERNAL TMS IN DMSO AS STANDARD, 70% KETO FORM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 E. Barchiesi, S. Bradamante, R. Ferraccioli, J. Chem. Soc. Perkin II 375 (1990).
NMR Standard see comment
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CH3OH