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Benzene, 1-[5-(dichloromethylene)-9-methyl-1,3,6,8-undecatetraen-10-ynyl]-2-et hynyl-, (E,E,E,Z)-
SpectraBase Compound ID 8BLRllFxAG5
InChI InChI=1S/C21H16Cl2/c1-4-17(3)11-10-16-20(21(22)23)15-9-8-14-19-13-7-6-12-18(19)5-2/h1-2,6-16H,3H3/b14-8+,15-9+,16-10+,17-11-
InChIKey YOPMSSWXVXFWJW-XOFAFIJTSA-N
Mol Weight 339.27 g/mol
Molecular Formula C21H16Cl2
Exact Mass 338.062906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID APMNP4YyN6E
Name Benzene, 1-[5-(dichloromethylene)-9-methyl-1,3,6,8-undecatetraen-10-ynyl]-2-et hynyl-, (E,E,E,Z)-
Alternate Name(s) 1-[(1E,3E,6E,8Z)-5-(dichloromethylene)-9-methyl-1,3,6,8-undecatetraen-10-ynyl]-2-ethynylbenzene 7-Dichloromethylene-11-(o-ethynylphenyl)-3-methylundeca-3,5,8,10-tetraen-1-yne
CAS Registry Number 89005-02-7
Comments Less than 3 mono-isotopic peaks
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Formula C21H16Cl2
InChI InChI=1S/C21H16Cl2/c1-4-17(3)11-10-16-20(21(22)23)15-9-8-14-19-13-7-6-12-18(19)5-2/h1-2,6-16H,3H3/b14-8+,15-9+,16-10+,17-11-
InChIKey YOPMSSWXVXFWJW-XOFAFIJTSA-N
Molecular Weight 339.265 g/mol
SMILES C(=C(\C=C\C=C/(C#C)C)\C=C\C=C\c1c(C#C)cccc1)(Cl)Cl
SPLASH splash10-0udi-0093000000-405e9c4b7579a260f577
Source of Spectrum KC-1983-3003-0
Wiley ID 1333969