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Acetylacetone cation
SpectraBase Compound ID LJvdcoxL26I
InChI InChI=1S/C5H9O2/c1-4(6)3-5(2)7/h6H,3H2,1-2H3/q+1
InChIKey GMQRIVAQIIGGMA-UHFFFAOYSA-N
Mol Weight 101.12 g/mol
Molecular Formula C5H9O2
Exact Mass 101.060255 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BGxeXydAGfE
Name Acetylacetone cation
CAS Registry Number 16962-62-2
Comments MONOPROTONATED SPECIES
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C5H11O2
InChI InChI=1S/C5H9O2/c1-4(6)3-5(2)7/h6H,3H2,1-2H3/q+1
InChIKey GMQRIVAQIIGGMA-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference G.A. Olah, J.L. Grant, P.W. Westerman, J. Org. Chem. 40, 2102 (1975).
NMR Standard TMS Ext.
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent FSO3H/SBF5