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3,4,4-trimethylcyclohexa-2,5-dien-1-one
SpectraBase Compound ID 1JpDapqE3b5
InChI InChI=1S/C9H12O/c1-7-6-8(10)4-5-9(7,2)3/h4-6H,1-3H3
InChIKey XWYNZKIPFPUMPJ-UHFFFAOYSA-N
Mol Weight 136.19 g/mol
Molecular Formula C9H12O
Exact Mass 136.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5L04vdvcEud
Name 2,5-Cyclohexadien-1-one, 3,4,4-trimethyl-
Alternate Name(s) 3,4,4-Trimethyl-2,5-cyclohexadien-1-one 3,4,4-trimethyl-1-cyclohexa-2,5-dienone 3,4,4-Trimethyl-2,5-cyclohexadienone 3,4,4-trimethylcyclohexa-2,5-dien-1-one
CAS Registry Number 17429-31-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O
InChI InChI=1S/C9H12O/c1-7-6-8(10)4-5-9(7,2)3/h4-6H,1-3H3
InChIKey XWYNZKIPFPUMPJ-UHFFFAOYSA-N
Molecular Weight 136.194 g/mol
SMILES CC1(C)C(C)=CC(=O)C=C1
SPLASH splash10-054x-9400000000-a6871bfdeca7787c6ac1
Source of Spectrum SD-1981-0-0
Wiley ID 1136481