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3-Chlorobenzoic acid

View entire compound with spectra: 11 NMR, 8 FTIR, and 19 MS (GC)

3-Chlorobenzoic acid
SpectraBase Compound ID EAOQ9USqV29
InChI InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
InChIKey LULAYUGMBFYYEX-UHFFFAOYSA-N
Mol Weight 156.57 g/mol
Molecular Formula C7H5ClO2
Exact Mass 155.997807 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9gMhVCADviy
Name 3-Chlorobenzoic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number C24604
CAS Registry Number 535-80-8
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H5ClO2
InChI InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
InChIKey LULAYUGMBFYYEX-UHFFFAOYSA-N
Observed nucleus 1H
Purity >=99%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_011009