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2-Isopropyl-phenol sulfonate

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2-Isopropyl-phenol sulfonate
SpectraBase Compound ID ErPKlc3eOJj
InChI InChI=1S/C9H12O4S/c1-7(2)8-5-3-4-6-9(8)13-14(10,11)12/h3-7H,1-2H3,(H,10,11,12)
InChIKey CWVVCXNVMZKNEI-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 15Cf0cDSmIh
Name 2-Isopropyl-phenol sulfonate
CAS Registry Number 84627-67-8
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C9H12O4S
InChI InChI=1S/C9H12O4S/c1-7(2)8-5-3-4-6-9(8)13-14(10,11)12/h3-7H,1-2H3,(H,10,11,12)
InChIKey CWVVCXNVMZKNEI-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