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2-[2-[2-[2-(benzothiophen-2-yl)ethynyl]phenyl]ethynyl]benzothiophene
SpectraBase Compound ID 5Zz8zaylsrF
InChI InChI=1S/C26H14S2/c1-2-8-20(14-16-24-18-22-10-4-6-12-26(22)28-24)19(7-1)13-15-23-17-21-9-3-5-11-25(21)27-23/h1-12,17-18H
InChIKey HDCHPNFTEOOJIQ-UHFFFAOYSA-N
Mol Weight 390.52 g/mol
Molecular Formula C26H14S2
Exact Mass 390.053693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Jdprjv6gqj
Name 2-[2-[2-[2-(benzothiophen-2-yl)ethynyl]phenyl]ethynyl]benzothiophene
Appearance Slightly yellow needles
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Exact Mass 390.053692799 u
Formula C26H14S2
InChI InChI=1S/C26H14S2/c1-2-8-20(14-16-24-18-22-10-4-6-12-26(22)28-24)19(7-1)13-15-23-17-21-9-3-5-11-25(21)27-23/h1-12,17-18H
InChIKey HDCHPNFTEOOJIQ-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
Molecular Weight 390.518 g/mol
Reported Formula C26H14S2
SMILES C=1C=CC(C#CC2=CC3=C(S2)C=CC=C3)=C(C#CC2=CC3=C(S2)C=CC=C3)C1
SPLASH splash10-0006-0009000000-f5dd5ece9b4a5c7425e4
Source of Spectrum ACI-56-SM9-1j (DOI: 10.1002/anie.201700057)
Thin-Layer Chromatography 0.46 (PE/EA, 10:1)
Wiley ID 1895494