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(E)-3-Butylthio-1-(4-methylphenyl)-3-phenylprop-2-en-1-one
SpectraBase Compound ID 99UrLy231OP
InChI InChI=1S/C20H22OS/c1-3-4-14-22-20(18-8-6-5-7-9-18)15-19(21)17-12-10-16(2)11-13-17/h5-13,15H,3-4,14H2,1-2H3/b20-15+
InChIKey PCTBBQXXSIYZHL-HMMYKYKNSA-N
Mol Weight 310.46 g/mol
Molecular Formula C20H22OS
Exact Mass 310.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AcxBAtEQtdH
Name (E)-3-Butylthio-1-(4-methylphenyl)-3-phenylprop-2-en-1-one
Alternate Name(s) (E)-3-(butylthio)-3-phenyl-1-(p-tolyl)prop-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22OS
InChI InChI=1S/C20H22OS/c1-3-4-14-22-20(18-8-6-5-7-9-18)15-19(21)17-12-10-16(2)11-13-17/h5-13,15H,3-4,14H2,1-2H3/b20-15+
InChIKey PCTBBQXXSIYZHL-HMMYKYKNSA-N
Literature Reference DOI 10.1002/cjoc.20040220917
Molecular Weight 310.455 g/mol
SMILES C(\C=C/(c1ccccc1)SCCCC)(c1ccc(cc1)C)=O
SPLASH splash10-0gb9-5892000000-a2d6324f7bf553e852f8
Source of Spectrum CJC-22-960-3a
Wiley ID 1774044