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p-sulfobenzoic acid, monosodium salt
SpectraBase Compound ID 488ZcLhSwNS
InChI InChI=1S/C7H6O5S.Na/c8-7(9)5-1-3-6(4-2-5)13(10,11)12;/h1-4H,(H,8,9)(H,10,11,12);/q;+1/p-1
InChIKey NUERUBQHXIQIOB-UHFFFAOYSA-M
Mol Weight 224.16176928 g/mol
Molecular Formula C7H5NaO5S
Exact Mass 223.975539 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6IFTiFcMEDg
Name p-SULFOBENZOIC ACID, MONOSODIUM SALT
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H5NaO5S
InChI InChI=1S/C7H6O5S.Na/c8-7(9)5-1-3-6(4-2-5)13(10,11)12;/h1-4H,(H,8,9)(H,10,11,12);/q;+1/p-1
InChIKey NUERUBQHXIQIOB-UHFFFAOYSA-M
Molecular Weight 224.17
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Bruker AC-300