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2,5-Cyclohexadien-1-one, 3,4-dimethyl-4-(2-propynyl)-
SpectraBase Compound ID 94SS8mRduEI
InChI InChI=1S/C11H12O/c1-4-6-11(3)7-5-10(12)8-9(11)2/h1,5,7-8H,6H2,2-3H3
InChIKey SKDIILRWUMBFPV-UHFFFAOYSA-N
Mol Weight 160.22 g/mol
Molecular Formula C11H12O
Exact Mass 160.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 91JWI8ccVs0
Name 2,5-Cyclohexadien-1-one, 3,4-dimethyl-4-(2-propynyl)-
CAS Registry Number 97183-19-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O
InChI InChI=1S/C11H12O/c1-4-6-11(3)7-5-10(12)8-9(11)2/h1,5,7-8H,6H2,2-3H3
InChIKey SKDIILRWUMBFPV-UHFFFAOYSA-N
Molecular Weight 160.216 g/mol
SMILES C=1(C(C=CC(C1)=O)(CC#C)C)C
SPLASH splash10-07kg-3900000000-d05f37c48b3d3037c467
Source of Spectrum H-68-365-18
Synonyms 3,4-Dimethyl-4-(2'-propinyl)cyclohexa-2,5-dien-1-one 3,4-Dimethyl-4-(2-propynyl)-2,5-cyclohexadien-1-one
Wiley ID 1157201