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2-(4-Chloro-2-methyl-phenoxy)propionic acid 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl ester
SpectraBase Compound ID 8A9Bn4hiGYf
InChI InChI=1S/C20H17ClF6O5S/c1-11-7-15(21)3-4-17(11)32-12(2)18(28)31-5-6-33(29,30)16-9-13(19(22,23)24)8-14(10-16)20(25,26)27/h3-4,7-10,12H,5-6H2,1-2H3
InChIKey PTFDZBWKVATIPS-UHFFFAOYSA-N
Mol Weight 518.85 g/mol
Molecular Formula C20H17ClF6O5S
Exact Mass 518.038941 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4YcFBEnTKcv
Name 2-(4-Chloro-2-methyl-phenoxy)propionic acid 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl ester
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Formula C20H17ClF6O5S
InChI InChI=1S/C20H17ClF6O5S/c1-11-7-15(21)3-4-17(11)32-12(2)18(28)31-5-6-33(29,30)16-9-13(19(22,23)24)8-14(10-16)20(25,26)27/h3-4,7-10,12H,5-6H2,1-2H3
InChIKey PTFDZBWKVATIPS-UHFFFAOYSA-N
Molecular Weight 518.854 g/mol
SMILES C(C(C)Oc1c(cc(cc1)Cl)C)(=O)OCCS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
SPLASH splash10-016r-2840090000-b7da91721b6af90306f8
Source of Spectrum CV-2003-286-4
Synonyms 2-(4-Chloro-2-methylphenoxy)propanoic acid 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl ester 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl 2-(4-chloranyl-2-methyl-phenoxy)propanoate 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl 2-(4-chloro-2-methylphenoxy)propanoate
Wiley ID 1610858