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Ethyl 4-(phenylethynyl)benzoate
SpectraBase Compound ID 7gMX30kD4Kv
InChI InChI=1S/C17H14O2/c1-2-19-17(18)16-12-10-15(11-13-16)9-8-14-6-4-3-5-7-14/h3-7,10-13H,2H2,1H3
InChIKey JOXFGLUYWQJUQC-UHFFFAOYSA-N
Mol Weight 250.3 g/mol
Molecular Formula C17H14O2
Exact Mass 250.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3XH2wsE3krW
Name Ethyl 4-(phenylethynyl)benzoate
Comments Less than 3 mono-isotopic peaks
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Formula C17H14O2
InChI InChI=1S/C17H14O2/c1-2-19-17(18)16-12-10-15(11-13-16)9-8-14-6-4-3-5-7-14/h3-7,10-13H,2H2,1H3
InChIKey JOXFGLUYWQJUQC-UHFFFAOYSA-N
Molecular Weight 250.297 g/mol
SMILES C(c1ccc(cc1)C#Cc1ccccc1)(=O)OCC
SPLASH splash10-0udi-0190000000-c08560d203b1fbd9da0c
Source of Spectrum H-85-1881-4
Synonyms 4-(2-phenylethynyl)benzoic acid ethyl ester ethyl 4-(2-phenylethynyl)benzoate
Wiley ID 1524585