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1-(1-Phenyl-allyl)-2-phenylsulfanyl-cyclohexanol
SpectraBase Compound ID Dw4nR3GyxhR
InChI InChI=1S/C21H24OS/c1-2-19(17-11-5-3-6-12-17)21(22)16-10-9-15-20(21)23-18-13-7-4-8-14-18/h2-8,11-14,19-20,22H,1,9-10,15-16H2/t19-,20+,21+/m0/s1
InChIKey XMICVKDHGPIYIE-PWRODBHTSA-N
Mol Weight 324.48 g/mol
Molecular Formula C21H24OS
Exact Mass 324.154787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jk0X1OMInWU
Name 1-(1-Phenyl-allyl)-2-phenylsulfanyl-cyclohexanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24OS
InChI InChI=1S/C21H24OS/c1-2-19(17-11-5-3-6-12-17)21(22)16-10-9-15-20(21)23-18-13-7-4-8-14-18/h2-8,11-14,19-20,22H,1,9-10,15-16H2/t19-,20+,21+/m0/s1
InChIKey XMICVKDHGPIYIE-PWRODBHTSA-N
Literature Reference DOI 10.1021/ol702607t
Molecular Weight 324.482 g/mol
SMILES O[C@@]1([C@@](CCCC1)(Sc1ccccc1)[H])[C@](c1ccccc1)(C=C)[H]
SPLASH splash10-0a4i-4490000000-2b69d4fa6e6a18dd7469
Source of Spectrum A1-10-117/SMS5-3f
Synonyms (1R,2R)-1-((S)-1-phenylallyl)-2-(phenylthio)cyclohexanol
Wiley ID 1758948