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Isobutyl 2-chloro-2-(p-tolylsulfinyl)-3-phenylpropanoate
SpectraBase Compound ID EOsfeUSQlek
InChI InChI=1S/C20H23ClO3S/c1-15(2)14-24-19(22)20(21,13-17-7-5-4-6-8-17)25(23)18-11-9-16(3)10-12-18/h4-12,15H,13-14H2,1-3H3
InChIKey CFVNAHXBUJPGMU-UHFFFAOYSA-N
Mol Weight 378.91 g/mol
Molecular Formula C20H23ClO3S
Exact Mass 378.105643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JyCRjQBbV8
Name Isobutyl 2-chloro-2-(p-tolylsulfinyl)-3-phenylpropanoate
Alternate Name(s) isobutyl 2-chloro-2-[(4-methylphenyl)sulfinyl]-3-phenylpropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23ClO3S
InChI InChI=1S/C20H23ClO3S/c1-15(2)14-24-19(22)20(21,13-17-7-5-4-6-8-17)25(23)18-11-9-16(3)10-12-18/h4-12,15H,13-14H2,1-3H3
InChIKey CFVNAHXBUJPGMU-UHFFFAOYSA-N
Molecular Weight 378.914 g/mol
SMILES C(S(c1ccc(cc1)C)=O)(C(OCC(C)C)=O)(Cc1ccccc1)Cl
SPLASH splash10-001i-0930000000-f275525c98e01febb655
Source of Spectrum F-50-4967-14
Wiley ID 1358696