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Methyl 2-((4-cyanophenyl)ethynyl)benzoate

View entire compound with spectra: 1 MS (GC)

Methyl 2-((4-cyanophenyl)ethynyl)benzoate
SpectraBase Compound ID IJFCoV9zB0v
InChI InChI=1S/C17H11NO2/c1-20-17(19)16-5-3-2-4-15(16)11-10-13-6-8-14(12-18)9-7-13/h2-9H,1H3
InChIKey JTQUDJJDOJNBID-UHFFFAOYSA-N
Mol Weight 261.28 g/mol
Molecular Formula C17H11NO2
Exact Mass 261.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LlGtzvfjjEY
Name Methyl 2-((4-cyanophenyl)ethynyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11NO2
InChI InChI=1S/C17H11NO2/c1-20-17(19)16-5-3-2-4-15(16)11-10-13-6-8-14(12-18)9-7-13/h2-9H,1H3
InChIKey JTQUDJJDOJNBID-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C5SC02583D
Molecular Weight 261.280 g/mol
SMILES C(c1c(cccc1)C#Cc1ccc(cc1)C#N)(=O)OC
SPLASH splash10-03dj-0290000000-a8d8d56cdbf3651240b5
Source of Spectrum CSS-7-89/SM19-3fj
Wiley ID 1801100