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1,4-Cyclohexanedione, 2,2,6-trimethyl-
SpectraBase Compound ID 13YyqhrPR9F
InChI InChI=1S/C9H14O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6H,4-5H2,1-3H3
InChIKey HVHHZSFNAYSPSA-UHFFFAOYSA-N
Mol Weight 154.21 g/mol
Molecular Formula C9H14O2
Exact Mass 154.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6GH3j0HfzNg
Name 2,2,6-Trimethyl-1,4-cyclohexanedione
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 154.099379689 u
Formula C9H14O2
InChI InChI=1S/C9H14O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6H,4-5H2,1-3H3
InChIKey HVHHZSFNAYSPSA-UHFFFAOYSA-N
Instrument Name HP 5890 Series II-5972 or Varian CP 3800-Saturn 2200
Ionization Type EI
Literature Reference DOI 10.1002/jsfa.3679
Molecular Weight 154.209 g/mol
Number of Peaks 4
SMILES C1(C(CC(CC1C)=O)(C)C)=O
SPLASH splash10-0k9l-9800000000-b3518374f3523f5d3804
Source of Spectrum SFA-89-1953-5 (DOI: 10.1002/jsfa.3679)
Wiley ID 1840259