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9,9-Bis(methylthio)-8-methyl-1-(4-chlorophenyl)-2,4,6,8-nonatetraene-1-one
SpectraBase Compound ID FvT6XZCgXY2
InChI InChI=1S/C18H19ClOS2/c1-14(18(21-2)22-3)8-6-4-5-7-9-17(20)15-10-12-16(19)13-11-15/h4-13H,1-3H3/b5-4+,8-6+,9-7+
InChIKey YCOKKUJJGFEZFQ-WUJFNTSISA-N
Mol Weight 350.92 g/mol
Molecular Formula C18H19ClOS2
Exact Mass 350.056585 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 28uwOj8SqDe
Name 9,9-Bis(methylthio)-8-methyl-1-(4-chlorophenyl)-2,4,6,8-nonatetraene-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C18H19ClOS2
InChI InChI=1S/C18H19ClOS2/c1-14(18(21-2)22-3)8-6-4-5-7-9-17(20)15-10-12-16(19)13-11-15/h4-13H,1-3H3/b5-4+,8-6+,9-7+
InChIKey YCOKKUJJGFEZFQ-WUJFNTSISA-N
Molecular Weight 350.922 g/mol
SMILES C(=C(\C=C\C=C\C=C\C(c1ccc(cc1)Cl)=O)C)(SC)SC
SPLASH splash10-0udi-0009000000-bd509f25f843fe61b15f
Source of Spectrum Y1-40-945-8
Synonyms (2E,4E,6E)-1-(4-chlorophenyl)-8-methyl-9,9-bis(methylsulfanyl)-2,4,6,8-nonatetraen-1-one
Wiley ID 1564871