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rac-trans-2-(3,5-Di-t-butyl-4-methoxyphenyl)cyclohexanol Benzylsulfonate
SpectraBase Compound ID DDjSLR9mM61
InChI InChI=1S/C28H40O4S/c1-27(2,3)23-17-21(18-24(26(23)31-7)28(4,5)6)22-15-11-12-16-25(22)32-33(29,30)19-20-13-9-8-10-14-20/h8-10,13-14,17-18,22,25H,11-12,15-16,19H2,1-7H3/t22-,25+/m1/s1
InChIKey FQKFDKUTHHIZCW-RDGATRHJSA-N
Mol Weight 472.7 g/mol
Molecular Formula C28H40O4S
Exact Mass 472.264731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AscBiuYQhEj
Name rac-trans-2-(3,5-Di-t-butyl-4-methoxyphenyl)cyclohexanol Benzylsulfonate
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Formula C28H40O4S
InChI InChI=1S/C28H40O4S/c1-27(2,3)23-17-21(18-24(26(23)31-7)28(4,5)6)22-15-11-12-16-25(22)32-33(29,30)19-20-13-9-8-10-14-20/h8-10,13-14,17-18,22,25H,11-12,15-16,19H2,1-7H3/t22-,25+/m1/s1
InChIKey FQKFDKUTHHIZCW-RDGATRHJSA-N
Molecular Weight 472.684 g/mol
SMILES [C@]1(OS(=O)(=O)Cc2ccccc2)([C@@](c2cc(C(C)(C)C)c(c(c2)C(C)(C)C)OC)(CCCC1)[H])[H]
SPLASH splash10-0udi-1049100000-918413c7bbdae57edd38
Source of Spectrum KC-61-3237-12
Synonyms (1S,2R)-2-(3,5-ditert-butyl-4-methoxyphenyl)cyclohexyl phenylmethanesulfonate
Wiley ID 1628350