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Benzenemethanol, .alpha.-[2-[(phenylthio)methylene]cyclohexyl]-, (R*,R*)-(.+-.)-
SpectraBase Compound ID 5qAfHewqDRg
InChI InChI=1S/C20H22OS/c21-20(16-9-3-1-4-10-16)19-14-8-7-11-17(19)15-22-18-12-5-2-6-13-18/h1-6,9-10,12-13,15,19-21H,7-8,11,14H2/b17-15+/t19-,20+/m1/s1
InChIKey HIKFDSLCTVYOMZ-ZRJBDMCNSA-N
Mol Weight 310.46 g/mol
Molecular Formula C20H22OS
Exact Mass 310.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A4Egs3sVLoY
Name Benzenemethanol, .alpha.-[2-[(phenylthio)methylene]cyclohexyl]-, (R*,R*)-(.+-.)-
CAS Registry Number 125335-10-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22OS
InChI InChI=1S/C20H22OS/c21-20(16-9-3-1-4-10-16)19-14-8-7-11-17(19)15-22-18-12-5-2-6-13-18/h1-6,9-10,12-13,15,19-21H,7-8,11,14H2/b17-15+/t19-,20+/m1/s1
InChIKey HIKFDSLCTVYOMZ-ZRJBDMCNSA-N
Molecular Weight 310.455 g/mol
SMILES O[C@]([C@]1(\C(=C\Sc2ccccc2)CCCC1)[H])(c1ccccc1)[H]
SPLASH splash10-0h90-9470000000-ac2cd843c72c5c4a62bd
Source of Spectrum KC-1989-310-39
Synonyms (R)-phenyl{(1R,2E)-2-[(phenylsulfanyl)methylene]cyclohexyl}methanol Phenyl[2'-(phenyl-thiomethylene)cyclohex-1-yl]methanol
Wiley ID 1311850