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3-Chlorophenylacetic acid

View entire compound with spectra: 9 NMR, 5 FTIR, 1 Raman, and 3 MS (GC)

3-Chlorophenylacetic acid
SpectraBase Compound ID 1PDQyyiZd24
InChI InChI=1S/C8H7ClO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey WFPMUFXQDKMVCO-UHFFFAOYSA-N
Mol Weight 170.59 g/mol
Molecular Formula C8H7ClO2
Exact Mass 170.013457 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BkPYp5qF2So
Name 3-Chlorophenylacetic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number C63359
CAS Registry Number 1878-65-5
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7ClO2
InChI InChI=1S/C8H7ClO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey WFPMUFXQDKMVCO-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_011185