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1,6-Bis(5-methyl-1-oxohepta-2,4-dien-6-ynyl)cyclohepta-1,3,5-triene
SpectraBase Compound ID ASpRUF8kBSQ
InChI InChI=1S/C23H20O2/c1-5-18(3)11-9-15-22(24)20-13-7-8-14-21(17-20)23(25)16-10-12-19(4)6-2/h1-2,7-16H,17H2,3-4H3/b15-9+,16-10+,18-11+,19-12+
InChIKey XJLSIYVYVSINNK-ISUMVNDVSA-N
Mol Weight 328.41 g/mol
Molecular Formula C23H20O2
Exact Mass 328.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EY0xyzj9tvG
Name 1,6-Bis(5-methyl-1-oxohepta-2,4-dien-6-ynyl)cyclohepta-1,3,5-triene
Comments Less than 3 mono-isotopic peaks
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Formula C23H20O2
InChI InChI=1S/C23H20O2/c1-5-18(3)11-9-15-22(24)20-13-7-8-14-21(17-20)23(25)16-10-12-19(4)6-2/h1-2,7-16H,17H2,3-4H3/b15-9+,16-10+,18-11+,19-12+
InChIKey XJLSIYVYVSINNK-ISUMVNDVSA-N
Molecular Weight 328.411 g/mol
SMILES C=1(CC(C(\C=C\C=C\(C#C)C)=O)=CC=CC1)C(\C=C\C=C\(C#C)C)=O
SPLASH splash10-014i-9001000000-3b2b9830c15e9072814c
Source of Spectrum KC-1993-95-22
Synonyms (2E,4E)-5-methyl-1-{6-[(2E,4E)-5-methyl-2,4-heptadien-6-ynoyl]-1,3,5-cycloheptatrien-1-yl}-2,4-heptadien-6-yn-1-one
Wiley ID 778669