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4,4,6-Trimethyl-cyclohexa-2,5-diene-2,3-diol-1-one

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4,4,6-Trimethyl-cyclohexa-2,5-diene-2,3-diol-1-one
SpectraBase Compound ID Fw0FvtAGJY1
InChI InChI=1S/C9H12O3/c1-5-4-9(2,3)8(12)7(11)6(5)10/h4,11-12H,1-3H3
InChIKey VHNFESHHBPKFRX-UHFFFAOYSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 21CCNee64lv
Name 4,4,6-Trimethyl-cyclohexa-2,5-diene-2,3-diol-1-one
CAS Registry Number 114198-57-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-5-4-9(2,3)8(12)7(11)6(5)10/h4,11-12H,1-3H3
InChIKey VHNFESHHBPKFRX-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference J. Detering, H.D. Martin, Angew. Chem. 100, 714 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3