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3-(5-tert-Butyl-2-oxo-cyclohexylsulfanyl)-3-fluoro-2-trifluoromethyl-acrylic acid methyl ester
SpectraBase Compound ID 1RQz3PfGlbq
InChI InChI=1S/C15H20F4O3S/c1-14(2,3)8-5-6-9(20)10(7-8)23-12(16)11(13(21)22-4)15(17,18)19/h8,10H,5-7H2,1-4H3/b12-11+
InChIKey PXGACNOWPAPDJF-VAWYXSNFSA-N
Mol Weight 356.38 g/mol
Molecular Formula C15H20F4O3S
Exact Mass 356.106928 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6aARiAXtzCj
Name 3-(5-tert-Butyl-2-oxo-cyclohexylsulfanyl)-3-fluoro-2-trifluoromethyl-acrylic acid methyl ester
Alternate Name(s) (E)-3-[(5-tert-butyl-2-keto-cyclohexyl)thio]-3-fluoro-2-(trifluoromethyl)acrylic acid methyl ester (E)-3-[(5-tert-butyl-2-oxocyclohexyl)thio]-3-fluoro-2-(trifluoromethyl)-2-propenoic acid methyl ester Methyl (2E)-3-[(5-tert-butyl-2-oxocyclohexyl)sulfanyl]-3-fluoro-2-(trifluoromethyl)-2-propenoate Methyl (E)-3-(5-tert-butyl-2-oxidanylidene-cyclohexyl)sulfanyl-3-fluoranyl-2-(trifluoromethyl)prop-2-enoate Methyl (E)-3-(5-tert-butyl-2-oxo-cyclohexyl)sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate
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Formula C15H20F4O3S
InChI InChI=1S/C15H20F4O3S/c1-14(2,3)8-5-6-9(20)10(7-8)23-12(16)11(13(21)22-4)15(17,18)19/h8,10H,5-7H2,1-4H3/b12-11+
InChIKey PXGACNOWPAPDJF-VAWYXSNFSA-N
Molecular Weight 356.376 g/mol
SMILES COC(\C(=C/(SC1C(CCC(C1)C(C)(C)C)=O)F)C(F)(F)F)=O
SPLASH splash10-052r-9347000000-13100f50de766b195a0b
Wiley ID 1463100