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(E)-1-Chloro-3-methyl-4-phenyl-1-(phenylsulfinyl)but-3-en-2-one
SpectraBase Compound ID Isdodaw1e5W
InChI InChI=1S/C17H15ClO2S/c1-13(12-14-8-4-2-5-9-14)16(19)17(18)21(20)15-10-6-3-7-11-15/h2-12,17H,1H3/b13-12+
InChIKey QEXWIXRQVHJZNJ-OUKQBFOZSA-N
Mol Weight 318.82 g/mol
Molecular Formula C17H15ClO2S
Exact Mass 318.048129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JzOc6VZElQ4
Name (E)-1-Chloro-3-methyl-4-phenyl-1-(phenylsulfinyl)but-3-en-2-one
Alternate Name(s) (3E)-1-chloro-3-methyl-4-phenyl-1-(phenylsulfinyl)-3-buten-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15ClO2S
InChI InChI=1S/C17H15ClO2S/c1-13(12-14-8-4-2-5-9-14)16(19)17(18)21(20)15-10-6-3-7-11-15/h2-12,17H,1H3/b13-12+
InChIKey QEXWIXRQVHJZNJ-OUKQBFOZSA-N
Molecular Weight 318.818 g/mol
SMILES C(C(\C(=C\c1ccccc1)C)=O)(S(=O)c1ccccc1)Cl
SPLASH splash10-00ov-0900000000-1e482393c7da26c65b52
Source of Spectrum F-57-9694-6
Wiley ID 1626505