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1,2-dimethyl-4,5-bis(2-phenylethynyl)benzene
SpectraBase Compound ID Jsp4CvyazPv
InChI InChI=1S/C24H18/c1-19-17-23(15-13-21-9-5-3-6-10-21)24(18-20(19)2)16-14-22-11-7-4-8-12-22/h3-12,17-18H,1-2H3
InChIKey BHCQGPPDBKLGNQ-UHFFFAOYSA-N
Mol Weight 306.41 g/mol
Molecular Formula C24H18
Exact Mass 306.140851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EWWTYD4Zzjn
Name 1,2-dimethyl-4,5-bis(2-phenylethynyl)benzene
Appearance Beige solid
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Exact Mass 306.140850580 u
Formula C24H18
InChI InChI=1S/C24H18/c1-19-17-23(15-13-21-9-5-3-6-10-21)24(18-20(19)2)16-14-22-11-7-4-8-12-22/h3-12,17-18H,1-2H3
InChIKey BHCQGPPDBKLGNQ-UHFFFAOYSA-N
Instrument Name Finnigan MAT TSQ 700 or JEOL JMS-700 or Vacuum Generators ZAB-2F or HP Agilent 5890 Series II Plus-HP 5972
Ionization Type EI positive ion
Literature Reference DOI 10.1002/anie.201700057
Reported Formula C24H18
SMILES C=1(C(=CC(C#CC2=CC=CC=C2)=C(C#CC2=CC=CC=C2)C1)C)C
SPLASH splash10-0a4i-0059000000-2ba0b38334a5fe1ce055
Source of Spectrum ACI-56-SM11-1n (DOI: 10.1002/anie.201700057)
Thin-Layer Chromatography 0.63 (PE/EA, 5:1)
Wiley ID 1895495