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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4yn3ITbfyi
Name 6-Hydroxy-6-[1'-(phenylsulfayl)cyclohexyl]hexyl toluene-p-sulfonate
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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
Molecular Weight 462.663 g/mol
SMILES OC(C1(Sc2ccccc2)CCCCC1)CCCCCOS(c1ccc(cc1)C)(=O)=O
SPLASH splash10-000x-9201000000-f16e4548fbe7e528db85
Source of Spectrum KC-0-2777-10
Synonyms 6-Hydroxy-6-[1'-(phenylsulfanyl)cyclohexyl]hexyl toluene-p-sulfonate [6-hydroxy-6-(1-phenylsulfanylcyclohexyl)hexyl] 4-methylbenzenesulfonate [6-oxidanyl-6-(1-phenylsulfanylcyclohexyl)hexyl] 4-methylbenzenesulfonate
Wiley ID 829107