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P-3-phenylsulfinyl-3-chloro-4-hydroxy-4-phenylbutane
SpectraBase Compound ID EOPhE3hjdI5
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
InChIKey QMDQKZYEIJIMTO-UHFFFAOYSA-N
Mol Weight 308.82 g/mol
Molecular Formula C16H17ClO2S
Exact Mass 308.063779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B19VO0NMN97
Name P-3-phenylsulfinyl-3-chloro-4-hydroxy-4-phenylbutane
Alternate Name(s) 2-Chloro-1-phenyl-2-(phenylsulfinyl)-1-butanol
CAS Registry Number 104377-51-7
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
InChIKey QMDQKZYEIJIMTO-UHFFFAOYSA-N
Molecular Weight 308.823 g/mol
SMILES OC(C(S(=O)c1ccccc1)(Cl)CC)c1ccccc1
SPLASH splash10-004i-0900000000-5f66faa53dc80b1f7065
Source of Spectrum AJ-58-2852-3
Wiley ID 1309621