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4-((4-acetylphenyl)ethynyl)benzonitrile
SpectraBase Compound ID F2xerWi5Tdu
InChI InChI=1S/C17H11NO/c1-13(19)17-10-8-15(9-11-17)3-2-14-4-6-16(12-18)7-5-14/h4-11H,1H3
InChIKey FCPXGRZKBSTQDI-UHFFFAOYSA-N
Mol Weight 245.28 g/mol
Molecular Formula C17H11NO
Exact Mass 245.084064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7HNb4cDdFht
Name 4-((4-acetylphenyl)ethynyl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11NO
InChI InChI=1S/C17H11NO/c1-13(19)17-10-8-15(9-11-17)3-2-14-4-6-16(12-18)7-5-14/h4-11H,1H3
InChIKey FCPXGRZKBSTQDI-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C5SC02583D
Molecular Weight 245.281 g/mol
SMILES C(c1ccc(cc1)C#Cc1ccc(cc1)C(=O)C)#N
SPLASH splash10-001i-0190000000-df20a30096c6e204eb1e
Source of Spectrum CSS-7-89/SM18-3fi
Wiley ID 1801099