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(E)-3-Methyl-5-phenyl-3-phenylthio-4-penten-2-one
SpectraBase Compound ID 34IKlthjvJW
InChI InChI=1S/C18H18OS/c1-15(19)18(2,20-17-11-7-4-8-12-17)14-13-16-9-5-3-6-10-16/h3-14H,1-2H3/b14-13+
InChIKey NRIWRIXTRZOQCX-BUHFOSPRSA-N
Mol Weight 282.4 g/mol
Molecular Formula C18H18OS
Exact Mass 282.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JeZirXi27fE
Name (E)-3-Methyl-5-phenyl-3-phenylthio-4-penten-2-one
Alternate Name(s) (4E)-3-methyl-5-phenyl-3-(phenylsulfanyl)-4-penten-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18OS
InChI InChI=1S/C18H18OS/c1-15(19)18(2,20-17-11-7-4-8-12-17)14-13-16-9-5-3-6-10-16/h3-14H,1-2H3/b14-13+
InChIKey NRIWRIXTRZOQCX-BUHFOSPRSA-N
Molecular Weight 282.401 g/mol
SMILES C(\C=C\c1ccccc1)(Sc1ccccc1)(C(=O)C)C
SPLASH splash10-00bi-0950000000-f48a43478576d31b1c08
Source of Spectrum AJ-65-2971-5
Wiley ID 771777