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(R*)-1-Chloro-1-[(S*)-1-hydroxybenzyl]butyl phenyl sulfoxide
SpectraBase Compound ID AzBxiI4n0oJ
InChI InChI=1S/C17H19ClO2S/c1-2-13-17(18,16(19)14-9-5-3-6-10-14)21(20)15-11-7-4-8-12-15/h3-12,16,19H,2,13H2,1H3/t16-,17+,21?/m1/s1
InChIKey MZBYOZPHKDWPFY-LXMSXWCSSA-N
Mol Weight 322.85 g/mol
Molecular Formula C17H19ClO2S
Exact Mass 322.079429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8z1UyhUf7jp
Name (R*)-1-Chloro-1-[(S*)-1-hydroxybenzyl]butyl phenyl sulfoxide
Alternate Name(s) (1R,2S)-2-chloro-1-phenyl-2-(phenylsulfinyl)-1-pentanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19ClO2S
InChI InChI=1S/C17H19ClO2S/c1-2-13-17(18,16(19)14-9-5-3-6-10-14)21(20)15-11-7-4-8-12-15/h3-12,16,19H,2,13H2,1H3/t16-,17+,21?/m1/s1
InChIKey MZBYOZPHKDWPFY-LXMSXWCSSA-N
Molecular Weight 322.850 g/mol
SMILES O[C@@]([C@]([S@@](=O)c1ccccc1)(Cl)CCC)(c1ccccc1)[H]
SPLASH splash10-004i-0900000000-854821669cae507c98df
Source of Spectrum E1-37-185-4
Wiley ID 1517496