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3-(Chlorosulfonyl)benzoic acid

View entire compound with spectra: 4 NMR, 4 FTIR, and 1 Raman

3-(Chlorosulfonyl)benzoic acid
SpectraBase Compound ID H5FLsGDgLkC
InChI InChI=1S/C7H5ClO4S/c8-13(11,12)6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
InChIKey LMRKXSDOAFUINK-UHFFFAOYSA-N
Mol Weight 220.63 g/mol
Molecular Formula C7H5ClO4S
Exact Mass 219.959708 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5EzkkGj88t2
Name 3-(Chlorosulfonyl)benzoic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 441759
CAS Registry Number 4025-64-3
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H5ClO4S
InChI 1S/C7H5ClO4S/c8-13(11,12)6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
InChIKey LMRKXSDOAFUINK-UHFFFAOYSA-N
Observed nucleus 1H
Purity 95%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_009640