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Bis(2-bromo-4,5-dibutylphenyl)acetylene
SpectraBase Compound ID L6AyBvgoxuD
InChI InChI=1S/C30H40Br2/c1-5-9-13-23-19-27(29(31)21-25(23)15-11-7-3)17-18-28-20-24(14-10-6-2)26(16-12-8-4)22-30(28)32/h19-22H,5-16H2,1-4H3
InChIKey VROBSZZUQJWXQT-UHFFFAOYSA-N
Mol Weight 560.5 g/mol
Molecular Formula C30H40Br2
Exact Mass 558.149677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hvj9iiGyzvC
Name Bis(2-bromo-4,5-dibutylphenyl)acetylene
Alternate Name(s) 1-Bromo-2-[(2-bromo-4,5-dibutylphenyl)ethynyl]-4,5-dibutylbenzene
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Formula C30H40Br2
InChI InChI=1S/C30H40Br2/c1-5-9-13-23-19-27(29(31)21-25(23)15-11-7-3)17-18-28-20-24(14-10-6-2)26(16-12-8-4)22-30(28)32/h19-22H,5-16H2,1-4H3
InChIKey VROBSZZUQJWXQT-UHFFFAOYSA-N
Molecular Weight 560.458 g/mol
SMILES C(#Cc1c(cc(c(c1)CCCC)CCCC)Br)c1c(cc(c(c1)CCCC)CCCC)Br
SPLASH splash10-03di-0000290000-0e5e9a835cb4b02d3987
Source of Spectrum CV-2004-1530-6
Wiley ID 1611556