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2,5-xylenesulfonic acid, sodium salt, monohydrate
SpectraBase Compound ID I156oXpcWZS
InChI InChI=1S/C8H10O3S.Na.H2O/c1-6-3-4-7(2)8(5-6)12(9,10)11;;/h3-5H,1-2H3,(H,9,10,11);;1H2/q;+1;/p-1
InChIKey CXWDJOMAVKAMER-UHFFFAOYSA-M
Mol Weight 226.22176928 g/mol
Molecular Formula C8H11NaO4S
Exact Mass 226.027574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GZKUViUNhKi
Name 2,5-XYLENESULFONIC ACID, SODIUM SALT, MONOHYDRATE
Source of Sample Eastman Organic Chemicals, Rochester, New York
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9NaO3S H2O
InChI InChI=1S/C8H10O3S.Na.H2O/c1-6-3-4-7(2)8(5-6)12(9,10)11;;/h3-5H,1-2H3,(H,9,10,11);;1H2/q;+1;/p-1
InChIKey CXWDJOMAVKAMER-UHFFFAOYSA-M
Molecular Weight 226.23
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms BENZENESULFONIC ACID, 2,5-DIMETHYL-, SODIUM SALT, MONOHYDRATE 2,5-XYLENESULFONIC ACID, SODIUM SALT, MONOHYDRATE