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Butanoic acid, 4-(benzoylthio)-3-(phenylseleno)-, methyl ester
SpectraBase Compound ID KmDsWCJNPQm
InChI InChI=1S/C18H18O3SSe/c1-21-17(19)12-16(23-15-10-6-3-7-11-15)13-22-18(20)14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3
InChIKey GEUJVGPNLULBMV-UHFFFAOYSA-N
Mol Weight 393.37 g/mol
Molecular Formula C18H18O3SSe
Exact Mass 394.014188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1owPAraZLjm
Name Butanoic acid, 4-(benzoylthio)-3-(phenylseleno)-, methyl ester
CAS Registry Number 117157-01-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O3SSe
InChI InChI=1S/C18H18O3SSe/c1-21-17(19)12-16(23-15-10-6-3-7-11-15)13-22-18(20)14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3
InChIKey GEUJVGPNLULBMV-UHFFFAOYSA-N
Molecular Weight 393.371 g/mol
SMILES C(SCC(CC(=O)OC)[Se]c1ccccc1)(=O)c1ccccc1
SPLASH splash10-0a4i-0910000000-badaf3df7448e6b0ec13
Source of Spectrum KC-1988-579-2
Synonyms Methyl 4-(benzoylsulfanyl)-3-(phenylselanyl)butanoate Methyl 4-benzoylthio-3-phenylselenobutyrate
Wiley ID 1366501