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3-Cyclohexyl-4-hydroxy-benzenesulfonic acid, sulfonate

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3-Cyclohexyl-4-hydroxy-benzenesulfonic acid, sulfonate
SpectraBase Compound ID xrsPvJ6Yo2
InChI InChI=1S/C12H16O7S2/c13-20(14,15)10-6-7-12(19-21(16,17)18)11(8-10)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,13,14,15)(H,16,17,18)
InChIKey GRPOVXGKFXJWCA-UHFFFAOYSA-N
Mol Weight 336.37 g/mol
Molecular Formula C12H16O7S2
Exact Mass 336.033745 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CLENnYT2aOc
Name 3-Cyclohexyl-4-hydroxy-benzenesulfonic acid, sulfonate
CAS Registry Number 84627-71-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H16O7S2
InChI InChI=1S/C12H16O7S2/c13-20(14,15)10-6-7-12(19-21(16,17)18)11(8-10)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,13,14,15)(H,16,17,18)
InChIKey GRPOVXGKFXJWCA-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference A. Braendstroem, G. Strandlund, Acta Chem. Scand. B33, 567 (1979).
NMR Standard TMS-PRSO3 Na
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O