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4,4'-((4,6-Dibromo-1,3-phenylene)bis(ethyne-2,1-diyl))bis(hexylbenzene)
SpectraBase Compound ID 4VDJvL1ydb2
InChI InChI=1S/C34H36Br2/c1-3-5-7-9-11-27-13-17-29(18-14-27)21-23-31-25-32(34(36)26-33(31)35)24-22-30-19-15-28(16-20-30)12-10-8-6-4-2/h13-20,25-26H,3-12H2,1-2H3
InChIKey ITWHUMQWOAKDBS-UHFFFAOYSA-N
Mol Weight 604.5 g/mol
Molecular Formula C34H36Br2
Exact Mass 602.118377 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7PjodKG2bc6
Name 4,4'-((4,6-Dibromo-1,3-phenylene)bis(ethyne-2,1-diyl))bis(hexylbenzene)
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Formula C34H36Br2
InChI InChI=1S/C34H36Br2/c1-3-5-7-9-11-27-13-17-29(18-14-27)21-23-31-25-32(34(36)26-33(31)35)24-22-30-19-15-28(16-20-30)12-10-8-6-4-2/h13-20,25-26H,3-12H2,1-2H3
InChIKey ITWHUMQWOAKDBS-UHFFFAOYSA-N
Molecular Weight 604.470 g/mol
SMILES c1(c(cc(c(c1)Br)C#Cc1ccc(cc1)CCCCCC)C#Cc1ccc(cc1)CCCCCC)Br
SPLASH splash10-0zfr-0000029000-c191ba04da5ac87a554c
Source of Spectrum ASC-358-3770/SM4-4a
Wiley ID 1803536