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4-Toluenesulfonate anion

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4-Toluenesulfonate anion
SpectraBase Compound ID BLAzTth81K5
InChI InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)/p-1
InChIKey JOXIMZWYDAKGHI-UHFFFAOYSA-M
Mol Weight 171.19 g/mol
Molecular Formula C7H7O3S
Exact Mass 171.01159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 93THOQrqEnZ
Name 4-Toluenesulfonate anion
Comments 125 MHZ SPECTRUM, 2-DIMETHYLSULFONIOCYCLOPROPANE -1,2-DICARBOXYLIC ACID SALT
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H7O3S
InChI InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)/p-1
InChIKey JOXIMZWYDAKGHI-UHFFFAOYSA-M
Instrument Name see comment
Literature Reference H. Nakamura, J. Chem. Soc. Perkin I 3219 (1990).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O