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3-(Chloromethyl)benzoic acid

View entire compound with spectra: 3 NMR, and 1 FTIR

3-(Chloromethyl)benzoic acid
SpectraBase Compound ID EKGE6MEFb6H
InChI InChI=1S/C8H7ClO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2,(H,10,11)
InChIKey PBSUMBYSVFTMNG-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 7xlcpkBZ6Np
Name 3-(Chloromethyl)benzoic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 424315
CAS Registry Number 31719-77-4
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/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2,(H,10,11)
InChIKey PBSUMBYSVFTMNG-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms alpha-Chloro-m-toluic acid
Wiley ID SIAL_13CNMR_009423