For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
L-3-phenylsulfinyl-3-chloro-4-hydroxy-4-phenylbutane
SpectraBase Compound ID HdpKEfkceAN
InChI InChI=1S/C16H17ClO2S/c1-2-16(17,15(18)13-9-5-3-6-10-13)20(19)14-11-7-4-8-12-14/h3-12,15,18H,2H2,1H3/t15-,16?,20?/m0/s1
InChIKey QMDQKZYEIJIMTO-SHPPYHEDSA-N
Mol Weight 308.82 g/mol
Molecular Formula C16H17ClO2S
Exact Mass 308.063779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KHS7nIYeAFl
Name L-3-phenylsulfinyl-3-chloro-4-hydroxy-4-phenylbutane
CAS Registry Number 104420-53-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17ClO2S
InChI InChI=1S/C16H17ClO2S/c1-2-16(17,15(18)13-9-5-3-6-10-13)20(19)14-11-7-4-8-12-14/h3-12,15,18H,2H2,1H3/t15-,16?,20?/m0/s1
InChIKey QMDQKZYEIJIMTO-SHPPYHEDSA-N
Molecular Weight 308.823 g/mol
SMILES O[C@](C(S(=O)c1ccccc1)(Cl)CC)(c1ccccc1)[H]
SPLASH splash10-004i-3900000000-0d1199d967e8f328e043
Source of Spectrum AJ-58-2852-3
Synonyms (1S)-2-chloro-1-phenyl-2-(phenylsulfinyl)-1-butanol
Wiley ID 1309620