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Benzenemethanol, .alpha.-[1-chloro-1-(phenylsulfinyl)-3-(phenylthio)propyl]-, [.alpha.R*(1S*)]-
SpectraBase Compound ID 4mUM2P7ii9t
InChI InChI=1S/C22H21ClO2S2/c23-22(21(24)18-10-4-1-5-11-18,27(25)20-14-8-3-9-15-20)16-17-26-19-12-6-2-7-13-19/h1-15,21,24H,16-17H2/t21-,22-,27?/m1/s1
InChIKey OXNDJTNCHFSNNH-XBRHSWDSSA-N
Mol Weight 416.98 g/mol
Molecular Formula C22H21ClO2S2
Exact Mass 416.06715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4GyyZpG4m27
Name Benzenemethanol, .alpha.-[1-chloro-1-(phenylsulfinyl)-3-(phenylthio)propyl]-, [.alpha.R*(1S*)]-
Alternate Name(s) (1R,2S)-2-chloro-1-phenyl-4-(phenylsulfanyl)-2-(phenylsulfinyl)-1-butanol Chlorohydrin-L
CAS Registry Number 112060-30-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21ClO2S2
InChI InChI=1S/C22H21ClO2S2/c23-22(21(24)18-10-4-1-5-11-18,27(25)20-14-8-3-9-15-20)16-17-26-19-12-6-2-7-13-19/h1-15,21,24H,16-17H2/t21-,22-,27?/m1/s1
InChIKey OXNDJTNCHFSNNH-XBRHSWDSSA-N
Molecular Weight 416.981 g/mol
SMILES O[C@@]([C@](S(=O)c1ccccc1)(CCSc1ccccc1)Cl)(c1ccccc1)[H]
SPLASH splash10-00or-5920000000-1f17d05bd651e1f1c156
Source of Spectrum AJ-60-306-0
Wiley ID 1376287