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Ethyl 4-((4-(phenylethynyl)phenyl)ethynyl)benzoate
SpectraBase Compound ID IrfCc4oAmQW
InChI InChI=1S/C25H18O2/c1-2-27-25(26)24-18-16-23(17-19-24)15-14-22-12-10-21(11-13-22)9-8-20-6-4-3-5-7-20/h3-7,10-13,16-19H,2H2,1H3
InChIKey YJMTWAIBAJOEOX-UHFFFAOYSA-N
Mol Weight 350.42 g/mol
Molecular Formula C25H18O2
Exact Mass 350.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Au4JLaqs9UE
Name Ethyl 4-((4-(phenylethynyl)phenyl)ethynyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H18O2
InChI InChI=1S/C25H18O2/c1-2-27-25(26)24-18-16-23(17-19-24)15-14-22-12-10-21(11-13-22)9-8-20-6-4-3-5-7-20/h3-7,10-13,16-19H,2H2,1H3
InChIKey YJMTWAIBAJOEOX-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C5SC02583D
Molecular Weight 350.417 g/mol
SMILES C(c1ccc(cc1)C#Cc1ccc(cc1)C#Cc1ccccc1)(=O)OCC
SPLASH splash10-0udi-0039000000-8ef34eff8ba53277a1d4
Source of Spectrum CSS-7-89/SM21-4
Wiley ID 1801107