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4-(2-Chloroacetamido)benzoic acid

View entire compound with spectra: 2 NMR, and 1 FTIR

4-(2-Chloroacetamido)benzoic acid
SpectraBase Compound ID 1IEK9qLrHEU
InChI InChI=1S/C9H8ClNO3/c10-5-8(12)11-7-3-1-6(2-4-7)9(13)14/h1-4H,5H2,(H,11,12)(H,13,14)
InChIKey FNXAWVZXABMYRM-UHFFFAOYSA-N
Mol Weight 213.62 g/mol
Molecular Formula C9H8ClNO3
Exact Mass 213.019271 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3PMTX12gvbs
Name 4-(2-Chloroacetamido)benzoic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 440663
CAS Registry Number 4596-39-8
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8ClNO3
InChI InChI=1S/C9H8ClNO3/c10-5-8(12)11-7-3-1-6(2-4-7)9(13)14/h1-4H,5H2,(H,11,12)(H,13,14)
InChIKey FNXAWVZXABMYRM-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_009677