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2-Mesitylenesulfonic acid dihydrate

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2-Mesitylenesulfonic acid dihydrate
SpectraBase Compound ID 2YAuogjXjxo
InChI InChI=1S/C9H12O3S.2H2O/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;;/h4-5H,1-3H3,(H,10,11,12);2*1H2
InChIKey LIKWMDGAWXCECN-UHFFFAOYSA-N
Mol Weight 236.282 g/mol
Molecular Formula C9H16O5S
Exact Mass 236.071845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IWvm95dqxb6
Name 2-MESITYLENESULFONIC ACID, DIHYDRATE
Source of Sample Fluka AG, Buchs, Switzerland
CAS Registry Number 3453-83-6
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3S 2H2O
InChI InChI=1S/C9H12O3S.2H2O/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;;/h4-5H,1-3H3,(H,10,11,12);2*1H2
InChIKey LIKWMDGAWXCECN-UHFFFAOYSA-N
Melting Point 70-72C
Molecular Weight 236.29
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20