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3-Penten-1-one, 2-methyl-1-phenyl-2-(phenylthio)-, (E)-
SpectraBase Compound ID 5w92Ua5o0xT
InChI InChI=1S/C18H18OS/c1-3-14-18(2,20-16-12-8-5-9-13-16)17(19)15-10-6-4-7-11-15/h3-14H,1-2H3/b14-3+
InChIKey PRDMHZPYUFGVDR-LZWSPWQCSA-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 9vMsDz9XZQI
Name 3-Penten-1-one, 2-methyl-1-phenyl-2-(phenylthio)-, (E)-
CAS Registry Number 109328-59-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18OS
InChI InChI=1S/C18H18OS/c1-3-14-18(2,20-16-12-8-5-9-13-16)17(19)15-10-6-4-7-11-15/h3-14H,1-2H3/b14-3+
InChIKey PRDMHZPYUFGVDR-LZWSPWQCSA-N
Molecular Weight 282.401 g/mol
SMILES C(C(=O)c1ccccc1)(Sc1ccccc1)(\C=C\C)C
SPLASH splash10-004i-2900000000-ebbf4ae09e82267db18f
Source of Spectrum KC-1986-1944-25
Synonyms (3E)-2-methyl-1-phenyl-2-(phenylsulfanyl)-3-penten-1-one (E)-2-Methyl-1-phenyl-2-phenylthiopent-3-en-1-one
Wiley ID 1286216