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2,5-Cyclohexadien-1-one, 3-acetyl-2,4,4-trimethyl-
SpectraBase Compound ID AjmTbKRtQMc
InChI InChI=1S/C11H14O2/c1-7-9(13)5-6-11(3,4)10(7)8(2)12/h5-6H,1-4H3
InChIKey GHALPNIYUQDOCK-UHFFFAOYSA-N
Mol Weight 178.23 g/mol
Molecular Formula C11H14O2
Exact Mass 178.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4QQeEmKL2aV
Name 2,5-Cyclohexadien-1-one, 3-acetyl-2,4,4-trimethyl-
CAS Registry Number 102677-01-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O2
InChI InChI=1S/C11H14O2/c1-7-9(13)5-6-11(3,4)10(7)8(2)12/h5-6H,1-4H3
InChIKey GHALPNIYUQDOCK-UHFFFAOYSA-N
Molecular Weight 178.231 g/mol
SMILES C1(=C(C(=O)C=CC1(C)C)C)C(=O)C
SPLASH splash10-000f-6900000000-e9a701ba79dc57dea7d3
Source of Spectrum H-68-1213-13
Synonyms 3-Acetyl-2,4,4-trimethyl-2,5-cyclohexadien-1-one
Wiley ID 1174313