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1,2-Dibromo-4,5-dimethyl-3,6-bis[(4-methoxyphenyl)ethynyl]benzene
SpectraBase Compound ID CzAPm1jHNbZ
InChI InChI=1S/C26H20Br2O2/c1-17-18(2)24(16-10-20-7-13-22(30-4)14-8-20)26(28)25(27)23(17)15-9-19-5-11-21(29-3)12-6-19/h5-8,11-14H,1-4H3
InChIKey IQWLUVZIXYTJNE-UHFFFAOYSA-N
Mol Weight 524.25 g/mol
Molecular Formula C26H20Br2O2
Exact Mass 521.983006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1gJXnmxQduD
Name 1,2-Dibromo-4,5-dimethyl-3,6-bis[(4-methoxyphenyl)ethynyl]benzene
Appearance Orange-brown solid
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Formula C26H20Br2O2
InChI InChI=1S/C26H20Br2O2/c1-17-18(2)24(16-10-20-7-13-22(30-4)14-8-20)26(28)25(27)23(17)15-9-19-5-11-21(29-3)12-6-19/h5-8,11-14H,1-4H3
InChIKey IQWLUVZIXYTJNE-UHFFFAOYSA-N
Instrument Name Finnigan MAT-95
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202300545
Molecular Weight 524.252 g/mol
Quality 63
Reported Formula C26H20O2(79)Br2
SMILES C1(=C(C)C(C)=C(C#CC2=CC=C(C=C2)OC)C(Br)=C1Br)C#CC1=CC=C(C=C1)OC
SPLASH splash10-00fr-0100090000-0fc79c88a9d913d7edab
Source of Spectrum K1-26-SM4-14 (DOI: 10.1002/ejoc.202300545)
Thin-Layer Chromatography 0.40 (pentane/CH2Cl2, 2:1)
Wiley ID 1912094