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Cyclohexanemethanol, .alpha.-methyl-1-(phenylsulfinyl)-, 4-methylbenzenesulfonate
SpectraBase Compound ID ASw7M0ZLEOG
InChI InChI=1S/C21H26O4S2/c1-17-11-13-20(14-12-17)27(23,24)25-18(2)21(15-7-4-8-16-21)26(22)19-9-5-3-6-10-19/h3,5-6,9-14,18H,4,7-8,15-16H2,1-2H3
InChIKey SDCZLMBOOAYKJT-UHFFFAOYSA-N
Mol Weight 406.56 g/mol
Molecular Formula C21H26O4S2
Exact Mass 406.127252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 83V94paRrFw
Name Cyclohexanemethanol, .alpha.-methyl-1-(phenylsulfinyl)-, 4-methylbenzenesulfonate
CAS Registry Number 62291-98-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O4S2
InChI InChI=1S/C21H26O4S2/c1-17-11-13-20(14-12-17)27(23,24)25-18(2)21(15-7-4-8-16-21)26(22)19-9-5-3-6-10-19/h3,5-6,9-14,18H,4,7-8,15-16H2,1-2H3
InChIKey SDCZLMBOOAYKJT-UHFFFAOYSA-N
Molecular Weight 406.555 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)(C1(S(=O)c2ccccc2)CCCCC1)C
SPLASH splash10-014i-5390000000-8c476391d9c68d3529c1
Source of Spectrum KC-1976-2034-0
Synonyms 1-(1-Phenylsulphinylcyclohexyl)ethyl toluene-p-sulphonate 1-[1-(phenylsulfinyl)cyclohexyl]ethyl 4-methylbenzenesulfonate
Wiley ID 1372069