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m-acetylbenzenesulfonic acid, sodium salt

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m-acetylbenzenesulfonic acid, sodium salt
SpectraBase Compound ID GnL1IzSHohR
InChI InChI=1S/C8H8O4S.Na/c1-6(9)7-3-2-4-8(5-7)13(10,11)12;/h2-5H,1H3,(H,10,11,12);/q;+1/p-1
InChIKey QOYLWWSCQZZSMX-UHFFFAOYSA-M
Mol Weight 222.19 g/mol
Molecular Formula C8H7NaO4S
Exact Mass 221.996274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 21pOQL6UJSq
Name m-ACETYLBENZENESULFONIC ACID, SODIUM SALT
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NaO4S
InChI InChI=1S/C8H8O4S.Na/c1-6(9)7-3-2-4-8(5-7)13(10,11)12;/h2-5H,1H3,(H,10,11,12);/q;+1/p-1
InChIKey QOYLWWSCQZZSMX-UHFFFAOYSA-M
Molecular Weight 222.20
Solvent Polysol; Reference=TMS Spectrometer= Bruker AC-300
Synonyms BENZENESULFONIC ACID, M-ACETYL-, SODIUM SALT