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3-(1-Cyanoethyl)benzoic acid

View entire compound with spectra: 3 NMR, 1 FTIR, 1 Raman, and 1 MS (GC)

3-(1-Cyanoethyl)benzoic acid
SpectraBase Compound ID JR0exjL48wg
InChI InChI=1S/C10H9NO2/c1-7(6-11)8-3-2-4-9(5-8)10(12)13/h2-5,7H,1H3,(H,12,13)
InChIKey IRYIYPWRXROPSX-UHFFFAOYSA-N
Mol Weight 175.19 g/mol
Molecular Formula C10H9NO2
Exact Mass 175.063329 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DCqdYVZmo4S
Name 3-(1-Cyanoethyl)benzoic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 209805
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9NO2
InChI InChI=1S/C10H9NO2/c1-7(6-11)8-3-2-4-9(5-8)10(12)13/h2-5,7H,1H3,(H,12,13)
InChIKey IRYIYPWRXROPSX-UHFFFAOYSA-N
Molecular Weight 175.187 g/mol
Observed nucleus 13C
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_013376