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4-HYDROXY-m-TOLUENESULFONIC ACID, HYDROGEN SULFATE (ESTER)

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4-HYDROXY-m-TOLUENESULFONIC ACID, HYDROGEN SULFATE (ESTER)
SpectraBase Compound ID CMMSSFvqhPu
InChI InChI=1S/C7H8O7S2/c1-5-4-6(15(8,9)10)2-3-7(5)14-16(11,12)13/h2-4H,1H3,(H,8,9,10)(H,11,12,13)
InChIKey SKESCBBMPWMMEL-UHFFFAOYSA-N
Mol Weight 268.25 g/mol
Molecular Formula C7H8O7S2
Exact Mass 267.971145 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KSdYqbV93I2
Name 3-Methyl-4-sulfonyloxy-benzenesulfonic acid
CAS Registry Number 71552-45-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H8O7S2
InChI InChI=1S/C7H8O7S2/c1-5-4-6(15(8,9)10)2-3-7(5)14-16(11,12)13/h2-4H,1H3,(H,8,9,10)(H,11,12,13)
InChIKey SKESCBBMPWMMEL-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference G. Strandlund, P.O. Lagerstroem, Acta Chem. Scand. B33, 261 (1979).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O