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4-Cyano-benzoic acid

View entire compound with spectra: 10 NMR, 6 FTIR, 1 Raman, and 9 MS (GC)

4-Cyano-benzoic acid
SpectraBase Compound ID FRr8scT0BVw
InChI InChI=1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11)
InChIKey ADCUEPOHPCPMCE-UHFFFAOYSA-N
Mol Weight 147.13 g/mol
Molecular Formula C8H5NO2
Exact Mass 147.032028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5tMvIJKAiaU
Name Benzoic acid, 4-cyano-
CAS Registry Number 619-65-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5NO2
InChI InChI=1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11)
InChIKey ADCUEPOHPCPMCE-UHFFFAOYSA-N
Molecular Weight 147.133 g/mol
SMILES OC(=O)c1ccc(C#N)cc1
SPLASH splash10-0ue9-8900000000-f5d663b8ddf040282e29
Synonyms 4-Carboxybenzonitrile 4-Cyanobenzoic acid Benzoic acid, p-cyano- p-Carboxybenzonitrile Terephthalic mononitrile EINECS 210-606-9 NSC 6306
Wiley ID 1488719