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4-Cyanophenylacetic acid
SpectraBase Compound ID 39ZbL4lOPp7
InChI InChI=1S/C9H7NO2/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4H,5H2,(H,11,12)
InChIKey WEBXRQONNWEETE-UHFFFAOYSA-N
Mol Weight 161.16 g/mol
Molecular Formula C9H7NO2
Exact Mass 161.047678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EePv3PctB5T
Name (4-Cyanophenyl)acetic acid
CAS Registry Number 5462-71-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7NO2
InChI InChI=1S/C9H7NO2/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4H,5H2,(H,11,12)
InChIKey WEBXRQONNWEETE-UHFFFAOYSA-N
Molecular Weight 161.160 g/mol
SMILES OC(=O)Cc1ccc(cc1)C#N
SPLASH splash10-014i-7900000000-80e25155149f65bd780b
Synonyms Benzeneacetic acid, 4-cyano- (p-Cyanophenyl)acetic acid 2-(4-cyanophenyl)acetic acid 2-(4-cyanophenyl)ethanoic acid Acetic acid, (p-cyanophenyl)- EINECS 226-753-7
Wiley ID 1503171