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2-[8-(3,6-diketo-4-methyl-1-cyclohexa-1,4-dienyl)octa-3,5-diynyl]-5-methyl-p-benzoquinone
SpectraBase Compound ID CkbBfoMSlax
InChI InChI=1S/C22H18O4/c1-15-11-21(25)17(13-19(15)23)9-7-5-3-4-6-8-10-18-14-20(24)16(2)12-22(18)26/h11-14H,7-10H2,1-2H3
InChIKey FIEXSOIYAFYLCC-UHFFFAOYSA-N
Mol Weight 346.38 g/mol
Molecular Formula C22H18O4
Exact Mass 346.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CInRweOnQhU
Name 2-Methyl-5-[8-(4-methyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)octa-3,5-diynyl]cyclohexa-2,5-diene-1,4-dione
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Formula C22H18O4
InChI InChI=1S/C22H18O4/c1-15-11-21(25)17(13-19(15)23)9-7-5-3-4-6-8-10-18-14-20(24)16(2)12-22(18)26/h11-14H,7-10H2,1-2H3
InChIKey FIEXSOIYAFYLCC-UHFFFAOYSA-N
Molecular Weight 346.382 g/mol
SMILES C1=C(C(=O)C=C(C1=O)CCC#CC#CCCC1=CC(=O)C(=CC1=O)C)C
SPLASH splash10-000j-0944000000-ef5752ef3197d58acb99
Source of Spectrum F-56-6790-4
Synonyms 2-Methyl-5-[8-(4-methyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)octa-3,5-diynyl]-1,4-benzoquinone 2-Methyl-5-[8-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)octa-3,5-diynyl]cyclohexa-2,5-diene-1,4-dione 2-Methyl-5-[8-[4-methyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]octa-3,5-diynyl]cyclohexa-2,5-diene-1,4-dione 2-[8-(3,6-diketo-4-methyl-cyclohexa-1,4-dien-1-yl)octa-3,5-diynyl]-5-methyl-p-benzoquinone
Wiley ID 858365