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(E)-3-[(4-(2-Phenylethynyl)phenyl]prop-2-enoic acid
SpectraBase Compound ID 7lr2E5oZOas
InChI InChI=1S/C17H12O2/c18-17(19)13-12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-13H,(H,18,19)/b13-12+
InChIKey RKMLTNOMIHKPEO-OUKQBFOZSA-N
Mol Weight 248.28 g/mol
Molecular Formula C17H12O2
Exact Mass 248.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G1tXbTur7U6
Name (E)-3-[(4-(2-Phenylethynyl)phenyl]prop-2-enoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C17H12O2
InChI InChI=1S/C17H12O2/c18-17(19)13-12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-13H,(H,18,19)/b13-12+
InChIKey RKMLTNOMIHKPEO-OUKQBFOZSA-N
Molecular Weight 248.281 g/mol
SMILES OC(\C=C\c1ccc(C#Cc2ccccc2)cc1)=O
SPLASH splash10-0002-0090000000-21eb0224ab2ad6b96afb
Source of Spectrum CV-2005-1322-1
Synonyms (E)-3-[4-(2-phenylethynyl)phenyl]-2-propenoic acid (E)-3-[4-(2-phenylethynyl)phenyl]prop-2-enoic acid
Wiley ID 1611702