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2-Benzyl-3-keto-2-methyl-4-[(2,3,4,5,6-pentafluorophenyl)thio]butyric acid ethyl ester
SpectraBase Compound ID 2ifLt0hTm63
InChI InChI=1S/C20H17F5O3S/c1-3-28-19(27)20(2,9-11-7-5-4-6-8-11)12(26)10-29-18-16(24)14(22)13(21)15(23)17(18)25/h4-8H,3,9-10H2,1-2H3
InChIKey GTGVXOBXDAGYHJ-UHFFFAOYSA-N
Mol Weight 432.41 g/mol
Molecular Formula C20H17F5O3S
Exact Mass 432.081856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ox0uLsGpkg
Name 2-Benzyl-3-keto-2-methyl-4-[(2,3,4,5,6-pentafluorophenyl)thio]butyric acid ethyl ester
Alternate Name(s) 2-Methyl-3-oxo-4-[(2,3,4,5,6-pentafluorophenyl)thio]-2-(phenylmethyl)butanoic acid ethyl ester Ethyl 2-methyl-3-oxidanylidene-4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]sulfanyl-2-(phenylmethyl)butanoate Ethyl 2-benzyl-2-methyl-3-oxo-4-(2,3,4,5,6-pentafluorophenyl)sulfanylbutanoate
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Formula C20H17F5O3S
InChI InChI=1S/C20H17F5O3S/c1-3-28-19(27)20(2,9-11-7-5-4-6-8-11)12(26)10-29-18-16(24)14(22)13(21)15(23)17(18)25/h4-8H,3,9-10H2,1-2H3
InChIKey GTGVXOBXDAGYHJ-UHFFFAOYSA-N
Molecular Weight 432.405 g/mol
SMILES C(C(C(CSc1c(c(c(c(c1F)F)F)F)F)=O)(C)Cc1ccccc1)(=O)OCC
SPLASH splash10-0007-8900100000-bf2017ad9375627b1fe2
Source of Spectrum KC-0-2396-33
Wiley ID 781921