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2,5-Dimethylbenzoheptadien-8-one

View entire compound with spectra: 2 MS (GC)

2,5-Dimethylbenzoheptadien-8-one
SpectraBase Compound ID 1MedWw9B7eO
InChI InChI=1S/C13H16O/c1-9-3-6-13-10(2)4-5-12(14)8-11(13)7-9/h3,6-7,10H,4-5,8H2,1-2H3
InChIKey BSKWMZKKOONLDL-UHFFFAOYSA-N
Mol Weight 188.27 g/mol
Molecular Formula C13H16O
Exact Mass 188.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ALsstikbaJL
Name 2,5-Dimethylbenzoheptadien-8-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O
InChI InChI=1S/C13H16O/c1-9-3-6-13-10(2)4-5-12(14)8-11(13)7-9/h3,6-7,10H,4-5,8H2,1-2H3
InChIKey BSKWMZKKOONLDL-UHFFFAOYSA-N
Molecular Weight 188.270 g/mol
SMILES c12c(ccc(c2)C)C(CCC(C1)=O)C
SPLASH splash10-001i-0900000000-b8f60f5d2e17cbf84d5b
Source of Spectrum Y1-31-607-7
Synonyms 5,8-Dimethyl-2-benzosuberone 3,9-Dimethyl-5,7,8,9-tetrahydro-6H-benzo[a]cyclohepten-6-one 3,9-Dimethyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
Wiley ID 1525828