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rac-trans-2-(3-Methoxyphenyl)cyclohexanol 1-phenylbutanesulfonate
SpectraBase Compound ID CBHvWMosd6k
InChI InChI=1S/C23H30O4S/c1-3-10-23(18-11-5-4-6-12-18)28(24,25)27-22-16-8-7-15-21(22)19-13-9-14-20(17-19)26-2/h4-6,9,11-14,17,21-23H,3,7-8,10,15-16H2,1-2H3/t21-,22+,23?/m1/s1
InChIKey ZIFOARAYJHRLNQ-AXWGZAFASA-N
Mol Weight 402.55 g/mol
Molecular Formula C23H30O4S
Exact Mass 402.186481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2syJkHOX4eM
Name rac-trans-2-(3-Methoxyphenyl)cyclohexanol 1-phenylbutanesulfonate
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Formula C23H30O4S
InChI InChI=1S/C23H30O4S/c1-3-10-23(18-11-5-4-6-12-18)28(24,25)27-22-16-8-7-15-21(22)19-13-9-14-20(17-19)26-2/h4-6,9,11-14,17,21-23H,3,7-8,10,15-16H2,1-2H3/t21-,22+,23?/m1/s1
InChIKey ZIFOARAYJHRLNQ-AXWGZAFASA-N
Molecular Weight 402.549 g/mol
SMILES [C@]1(OS(C(c2ccccc2)CCC)(=O)=O)([C@@](c2cc(OC)ccc2)(CCCC1)[H])[H]
SPLASH splash10-000l-4900000000-c756d0067f2a5b46667b
Source of Spectrum KC-61-3239-13
Synonyms (1S,2R)-2-(3-methoxyphenyl)cyclohexyl 1-phenyl-1-butanesulfonate
Wiley ID 1628341