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BENZENEACETIC ACID, 4-CYANO-alpha-OXO-
SpectraBase Compound ID 6qTyluoAESl
InChI InChI=1S/C9H5NO3/c10-5-6-1-3-7(4-2-6)8(11)9(12)13/h1-4H,(H,12,13)
InChIKey WQRGOHNBTIFYNM-UHFFFAOYSA-N
Mol Weight 175.14 g/mol
Molecular Formula C9H5NO3
Exact Mass 175.026943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4hezcudWF6N
Name (4-Cyanophenyl)(oxo)acetic acid
Alternate Name(s) 2-(4-cyanophenyl)-2-keto-acetic acid 2-(4-cyanophenyl)-2-oxidanylidene-ethanoic acid 2-(4-cyanophenyl)-2-oxo-acetic acid Benzeneacetic acid, 4-cyano-.alpha.-oxo-
CAS Registry Number 76590-50-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H5NO3
InChI InChI=1S/C9H5NO3/c10-5-6-1-3-7(4-2-6)8(11)9(12)13/h1-4H,(H,12,13)
InChIKey WQRGOHNBTIFYNM-UHFFFAOYSA-N
Molecular Weight 175.143 g/mol
SMILES OC(C(c1ccc(cc1)C#N)=O)=O
SPLASH splash10-0f89-3900000000-2a999b1fc41e5672fc2f
Wiley ID 1498320