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p-(methylsulfonyl)benzoic acid

View entire compound with spectra: 4 NMR, 3 FTIR, and 1 Raman

p-(methylsulfonyl)benzoic acid
SpectraBase Compound ID 3qBChbUWFoA
InChI InChI=1S/C8H8O4S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey AJBWNNKDUMXZLM-UHFFFAOYSA-N
Mol Weight 200.21 g/mol
Molecular Formula C8H8O4S
Exact Mass 200.01433 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4cLo01uuQ2J
Name 4-(Methylsulfonyl)benzoic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 136417
CAS Registry Number 4052-30-6
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8O4S
InChI 1S/C8H8O4S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey AJBWNNKDUMXZLM-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_001054