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1-(2-Hydroxy-6-oxo-4,4-dimethyl-cyclohexenyl)-1,3-butanedione
SpectraBase Compound ID BoE6kEcn4aq
InChI InChI=1S/C12H16O4/c1-7(13)4-8(14)11-9(15)5-12(2,3)6-10(11)16/h15H,4-6H2,1-3H3
InChIKey CGXPFBXVRUCLHJ-UHFFFAOYSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JR4ohOH7Dj
Name 1-(2-Hydroxy-6-oxo-4,4-dimethyl-cyclohexenyl)-1,3-butanedione
CAS Registry Number 50614-09-0
Comments WHE-6817-39 MIXTURE WITH 20 % ENOL
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-7(13)4-8(14)11-9(15)5-12(2,3)6-10(11)16/h15H,4-6H2,1-3H3
InChIKey CGXPFBXVRUCLHJ-UHFFFAOYSA-N
Instrument Name Bruker WP-80
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3