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E-Methyl 2-[2-Methylsulfinyl-2-(methylthio)ethyl]-5-phenyl-2,4-pentadienoate
SpectraBase Compound ID J25SHUKsI0G
InChI InChI=1S/C16H20O3S2/c1-19-16(17)14(12-15(20-2)21(3)18)11-7-10-13-8-5-4-6-9-13/h4-11,15H,12H2,1-3H3/b10-7-,14-11+
InChIKey ISJQECSNBJPFHN-BXHQFMRESA-N
Mol Weight 324.45 g/mol
Molecular Formula C16H20O3S2
Exact Mass 324.085387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DTZPW73my7e
Name E-Methyl 2-[2-Methylsulfinyl-2-(methylthio)ethyl]-5-phenyl-2,4-pentadienoate
Alternate Name(s) Methyl (2E,4Z)-2-[2-(methylsulfanyl)-2-(methylsulfinyl)ethyl]-5-phenyl-2,4-pentadienoate
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Formula C16H20O3S2
InChI InChI=1S/C16H20O3S2/c1-19-16(17)14(12-15(20-2)21(3)18)11-7-10-13-8-5-4-6-9-13/h4-11,15H,12H2,1-3H3/b10-7-,14-11+
InChIKey ISJQECSNBJPFHN-BXHQFMRESA-N
Molecular Weight 324.453 g/mol
SMILES C(\C(CC(S(=O)C)SC)=C\C=C/c1ccccc1)(=O)OC
SPLASH splash10-0udl-1920000000-38feaf0c48357716d951
Source of Spectrum AJ-63-473-8
Wiley ID 1323009