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3-Isopropyl-2-hydroxy-benzenesulfonic acid

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3-Isopropyl-2-hydroxy-benzenesulfonic acid
SpectraBase Compound ID LX22Bz1Oreh
InChI InChI=1S/C9H12O4S/c1-6(2)7-4-3-5-8(9(7)10)14(11,12)13/h3-6,10H,1-2H3,(H,11,12,13)
InChIKey XWGXWQGTHDSMHK-UHFFFAOYSA-N
Mol Weight 216.25 g/mol
Molecular Formula C9H12O4S
Exact Mass 216.04563 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KVY6nk058Jl
Name 3-Isopropyl-2-hydroxy-benzenesulfonic acid
CAS Registry Number 69103-67-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H12O4S
InChI InChI=1S/C9H12O4S/c1-6(2)7-4-3-5-8(9(7)10)14(11,12)13/h3-6,10H,1-2H3,(H,11,12,13)
InChIKey XWGXWQGTHDSMHK-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