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2,5-Cyclohexadien-1-one, 3,4-dimethyl-4-(2-propynyl)-

View entire compound with spectra: 2 MS (GC)

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 Amadq7nafLy
Name 3,4-Dimethyl-4-(2'-propynyl)cyclohexa-2,5-dien-1-one
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
Literature Reference DOI 10.1002/hlca.19850680210
Molecular Weight 160.216 g/mol
SMILES C1(C=C(C(C=C1)(CC#C)C)C)=O
SPLASH splash10-002g-6900000000-eedc7eab6533df09c02d
Source of Spectrum H-68-365-18
Synonyms 3,4-Dimethyl-4-(prop-2-yn-1-yl)cyclohexa-2,5-dien-1-one
Wiley ID 1794881