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1,2-Dibromo-4,5-dimethyl-3,6-bis(4-tolylethynyl)benzene
SpectraBase Compound ID 2kdEyR5haUD
InChI InChI=1S/C26H20Br2/c1-17-5-9-21(10-6-17)13-15-23-19(3)20(4)24(26(28)25(23)27)16-14-22-11-7-18(2)8-12-22/h5-12H,1-4H3
InChIKey XYIYUJVDVGPQHV-UHFFFAOYSA-N
Mol Weight 492.25 g/mol
Molecular Formula C26H20Br2
Exact Mass 489.993177 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KsSuHrLiy6d
Name 1,2-Dibromo-4,5-dimethyl-3,6-bis(4-tolylethynyl)benzene
Appearance Pale green solid
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Formula C26H20Br2
InChI InChI=1S/C26H20Br2/c1-17-5-9-21(10-6-17)13-15-23-19(3)20(4)24(26(28)25(23)27)16-14-22-11-7-18(2)8-12-22/h5-12H,1-4H3
InChIKey XYIYUJVDVGPQHV-UHFFFAOYSA-N
Instrument Name Finnigan MAT-95
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202300545
Molecular Weight 492.254 g/mol
Quality 48
Reported Formula C26H20(79)Br2
SMILES C1(=C(C)C(C)=C(C#CC2=CC=C(C=C2)C)C(Br)=C1Br)C#CC1=CC=C(C=C1)C
SPLASH splash10-00ke-0109600000-8f979a67aad46714b8e2
Source of Spectrum K1-26-5-13 (DOI: 10.1002/ejoc.202300545)
Thin-Layer Chromatography 0.36 (pentane/CH2Cl2, 10:1)
Wiley ID 1912092