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5-(Ethoxycarbonylmethylthio)-1,1,1-trichloro-4-methoxy-3-penten-2-one
SpectraBase Compound ID AgvCKcVX9wV
InChI InChI=1S/C10H13Cl3O4S/c1-3-17-9(15)6-18-5-7(16-2)4-8(14)10(11,12)13/h4H,3,5-6H2,1-2H3/b7-4-
InChIKey IRKZDERCBMZXFQ-DAXSKMNVSA-N
Mol Weight 335.63 g/mol
Molecular Formula C10H13Cl3O4S
Exact Mass 333.960013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID aXyPEIxsuq
Name 5-(Ethoxycarbonylmethylthio)-1,1,1-trichloro-4-methoxy-3-penten-2-one
Alternate Name(s) Ethyl {[(2Z)-5,5,5-trichloro-2-methoxy-4-oxo-2-pentenyl]sulfanyl}acetate
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Formula C10H13Cl3O4S
InChI InChI=1S/C10H13Cl3O4S/c1-3-17-9(15)6-18-5-7(16-2)4-8(14)10(11,12)13/h4H,3,5-6H2,1-2H3/b7-4-
InChIKey IRKZDERCBMZXFQ-DAXSKMNVSA-N
Molecular Weight 335.629 g/mol
SMILES C(C(\C=C\(OC)CSCC(=O)OCC)=O)(Cl)(Cl)Cl
SPLASH splash10-000i-0290000000-ad4fbd84d026b0f834ea
Source of Spectrum SO-0-1963-1
Wiley ID 878769