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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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J7QQtyUOqBg
Name 4-Cyanobenzoic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number C89803
CAS Registry Number 619-65-8
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 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
Observed nucleus 1H
Purity 99%
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Terephthalic acid mononitrile
Wiley ID SIAL_1HNMR_011170