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2,3-Bis[(4-methylphenyl)ethynyl]-1H-inden-1-one
SpectraBase Compound ID DY9OSfbpihP
InChI InChI=1S/C27H18O/c1-19-7-11-21(12-8-19)15-17-24-23-5-3-4-6-25(23)27(28)26(24)18-16-22-13-9-20(2)10-14-22/h3-14H,1-2H3
InChIKey HAYCGEGGISJVIJ-UHFFFAOYSA-N
Mol Weight 358.44 g/mol
Molecular Formula C27H18O
Exact Mass 358.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4GmFztTDNjf
Name 2,3-Bis[(4-methylphenyl)ethynyl]-1H-inden-1-one
Alternate Name(s) 2,3-bis(p-tolylethynyl)-1H-inden-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H18O
InChI InChI=1S/C27H18O/c1-19-7-11-21(12-8-19)15-17-24-23-5-3-4-6-25(23)27(28)26(24)18-16-22-13-9-20(2)10-14-22/h3-14H,1-2H3
InChIKey HAYCGEGGISJVIJ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201100315
Molecular Weight 358.440 g/mol
SMILES C1(C(=C(c2ccccc12)C#Cc1ccc(cc1)C)C#Cc1ccc(cc1)C)=O
SPLASH splash10-0a4i-3009000000-d077d52802dd2233f008
Source of Spectrum H-95-480-7b
Wiley ID 1786207