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5,5-DIMETHYL-2-METHYL-2-(2'-OXOPROPYL)-HEXA-1,3-DIONE

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5,5-DIMETHYL-2-METHYL-2-(2'-OXOPROPYL)-HEXA-1,3-DIONE
SpectraBase Compound ID DfmhDkJhK3P
InChI InChI=1S/C12H18O3/c1-8(13)5-12(4)9(14)6-11(2,3)7-10(12)15/h5-7H2,1-4H3
InChIKey HYVQIBQMGXAELA-UHFFFAOYSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID RYmjrotIiP
Name 2-Acetonyl-2,5,5-trimethyl-cyclohexane-1,3-dione
CAS Registry Number 91165-09-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-8(13)5-12(4)9(14)6-11(2,3)7-10(12)15/h5-7H2,1-4H3
InChIKey HYVQIBQMGXAELA-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference M.P. Sammes, P.M. Maini, Magn. Res. Chem. 25, 372 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3