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7,7-Bis(methylthio)-1-phenyl-2,4,6-heptatriene-1-one
SpectraBase Compound ID iAGjhrBBDo
InChI InChI=1S/C15H16OS2/c1-17-15(18-2)12-8-4-7-11-14(16)13-9-5-3-6-10-13/h3-12H,1-2H3/b8-4+,11-7+
InChIKey VOFILJWFWHBZOQ-RIALUSDFSA-N
Mol Weight 276.41 g/mol
Molecular Formula C15H16OS2
Exact Mass 276.064257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FiDggktwugT
Name 7,7-Bis(methylthio)-1-phenyl-2,4,6-heptatriene-1-one
Alternate Name(s) 7,7-Bis(methylthio)-1-phenyl-2,4,6-heptatriien-1-one (2E,4E)-7,7-bis(methylsulfanyl)-1-phenyl-2,4,6-heptatrien-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C15H16OS2
InChI InChI=1S/C15H16OS2/c1-17-15(18-2)12-8-4-7-11-14(16)13-9-5-3-6-10-13/h3-12H,1-2H3/b8-4+,11-7+
InChIKey VOFILJWFWHBZOQ-RIALUSDFSA-N
Molecular Weight 276.412 g/mol
SMILES C(=C\C=C\C=C\C(=O)c1ccccc1)(SC)SC
SPLASH splash10-03di-0090000000-4a80596fc382a01d7e0f
Source of Spectrum AT-31-1766-8
Wiley ID 835708