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6-HYDROXY-6-[1'-(PHENYLSULFANYL)-CYCLOHEXYL]-HEXYL-TOLUENE-P-SULFONATE
SpectraBase Compound ID IdKMbU0HbW4
InChI InChI=1S/C25H34O4S2/c1-21-14-16-23(17-15-21)31(27,28)29-20-10-3-7-13-24(26)25(18-8-4-9-19-25)30-22-11-5-2-6-12-22/h2,5-6,11-12,14-17,24,26H,3-4,7-10,13,18-20H2,1H3
InChIKey ABGPQIMUTZKBPQ-UHFFFAOYSA-N
Mol Weight 462.7 g/mol
Molecular Formula C25H34O4S2
Exact Mass 462.189852 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HhEMM6oOdFW
Name 6-HYDROXY-6-[1'-(PHENYLSULFANYL)-CYCLOHEXYL]-HEXYL-TOLUENE-P-SULFONATE
Compound Number 10,N=5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H34O4S2
InChI InChI=1S/C25H34O4S2/c1-21-14-16-23(17-15-21)31(27,28)29-20-10-3-7-13-24(26)25(18-8-4-9-19-25)30-22-11-5-2-6-12-22/h2,5-6,11-12,14-17,24,26H,3-4,7-10,13,18-20H2,1H3
InChIKey ABGPQIMUTZKBPQ-UHFFFAOYSA-N
Literature Reference Author L.DJAKOVITCH,J.EAMES,D.J.FOX,F.H.SANSBURY,S.WARREN
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2771(1999)
Literature Reference DOI 10.1039/a905498g
Molecular Weight 462.663 g/mol
Solvent CDCl3
Source File Reference UWRU8932