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1,3-bis(8-methyldeca-1,3,5,7-tetraen-9-ynyl)benzene
SpectraBase Compound ID GsrWs5QTihc
InChI InChI=1S/C28H26/c1-5-25(3)18-13-9-7-11-15-20-27-22-17-23-28(24-27)21-16-12-8-10-14-19-26(4)6-2/h1-2,7-24H,3-4H3/b11-7+,12-8+,13-9+,14-10+,20-15-,21-16+,25-18-,26-19-
InChIKey IZLDYJGVKYSLFZ-JQTCIESJSA-N
Mol Weight 362.52 g/mol
Molecular Formula C28H26
Exact Mass 362.203451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LdrReB5mGTa
Name 1,3-bis(8-methyldeca-1,3,5,7-tetraen-9-ynyl)benzene
CAS Registry Number 111221-01-3
Comments Less than 3 mono-isotopic peaks
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Formula C28H26
InChI InChI=1S/C28H26/c1-5-25(3)18-13-9-7-11-15-20-27-22-17-23-28(24-27)21-16-12-8-10-14-19-26(4)6-2/h1-2,7-24H,3-4H3/b11-7+,12-8+,13-9+,14-10+,20-15-,21-16+,25-18-,26-19-
InChIKey IZLDYJGVKYSLFZ-JQTCIESJSA-N
Molecular Weight 362.516 g/mol
SMILES C(#C)\C(=C/C=C/C=C/C=C\c1cc(\C=C\C=C\C=C\C=C/(C#C)C)ccc1)C
SPLASH splash10-014i-9002000000-e7059a86c50305c9e89f
Source of Spectrum KC-1987-843-22
Synonyms 1-[(1E,3E,5E,7Z)-8-methyl-1,3,5,7-decatetraen-9-ynyl]-3-[(1Z,3E,5E,7Z)-8-methyl-1,3,5,7-decatetraen-9-ynyl]benzene
Wiley ID 1350083