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Acetonylacetone dication

View entire compound with spectra: 4 NMR

Acetonylacetone dication
SpectraBase Compound ID FEL99hAwfWN
InChI InChI=1S/C6H12O2/c1-5(7)3-4-6(2)8/h7-8H,3-4H2,1-2H3/q+2
InChIKey SKBOLCKSINFZJB-UHFFFAOYSA-N
Mol Weight 116.16 g/mol
Molecular Formula C6H12O2
Exact Mass 116.08373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2sSgH1d49Mm
Name Acetonylacetone dication
CAS Registry Number 55236-87-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H16O2
InChI InChI=1S/C6H12O2/c1-5(7)3-4-6(2)8/h7-8H,3-4H2,1-2H3/q+2
InChIKey SKBOLCKSINFZJB-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference G.A. Olah, N. Yoneda, R. Ohnishi, J. Am. Chem. Soc. 98, 7341 (1976).
NMR Standard TMS Ext.
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent SBF5/SO2