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(1R,2S)-2-[((E)-1-{[(4-methylphenyl)sulfinyl]methyl}-2-phenylethenyl)oxy]cyclohexanol
SpectraBase Compound ID 7QEd7F2Yshy
InChI InChI=1S/C22H26O3S/c1-17-11-13-20(14-12-17)26(24)16-19(15-18-7-3-2-4-8-18)25-22-10-6-5-9-21(22)23/h2-4,7-8,11-15,21-23H,5-6,9-10,16H2,1H3/b19-15+/t21-,22+,26?/m1/s1
InChIKey QOACNXYOVFVTDN-YDTZQBHGSA-N
Mol Weight 370.51 g/mol
Molecular Formula C22H26O3S
Exact Mass 370.160266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B8NQpPETWKa
Name (1R,2S)-2-[((E)-1-{[(4-methylphenyl)sulfinyl]methyl}-2-phenylethenyl)oxy]cyclohexanol
Comments Less than 3 mono-isotopic peaks
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Formula C22H26O3S
InChI InChI=1S/C22H26O3S/c1-17-11-13-20(14-12-17)26(24)16-19(15-18-7-3-2-4-8-18)25-22-10-6-5-9-21(22)23/h2-4,7-8,11-15,21-23H,5-6,9-10,16H2,1H3/b19-15+/t21-,22+,26?/m1/s1
InChIKey QOACNXYOVFVTDN-YDTZQBHGSA-N
Molecular Weight 370.507 g/mol
SMILES O[C@]1([C@@](O\C(C[S@@](c2ccc(cc2)C)=O)=C/c2ccccc2)(CCCC1)[H])[H]
SPLASH splash10-0006-9003000000-bbe3d50d1d1502a07ce1
Source of Spectrum F-52-6539-11
Synonyms (E,Rs)-2-[(1S,2R)-2-Hydroxycyclohexyloxy]-1-phenyl-3-(p-tolylsulfinyl)]propene
Wiley ID 796585