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2-Methyl-4-[4'-methyl-5'-(4''-(trifluoromethylthio))phenoxy]-acetic acid
SpectraBase Compound ID ITMqAC5UWxP
InChI InChI=1S/C22H19F3O3S2/c1-13-9-17(7-8-19(13)28-11-20(26)27)29-12-18-10-14(2)21(30-18)15-3-5-16(6-4-15)22(23,24)25/h3-10H,11-12H2,1-2H3,(H,26,27)
InChIKey MOXNGQNDLFKYES-UHFFFAOYSA-N
Mol Weight 452.51 g/mol
Molecular Formula C22H19F3O3S2
Exact Mass 452.072771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID oTJg2sBySl
Name 2-Methyl-4-[4'-methyl-5'-(4''-(trifluoromethylthio))phenoxy]-acetic acid
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Formula C22H19F3O3S2
InChI InChI=1S/C22H19F3O3S2/c1-13-9-17(7-8-19(13)28-11-20(26)27)29-12-18-10-14(2)21(30-18)15-3-5-16(6-4-15)22(23,24)25/h3-10H,11-12H2,1-2H3,(H,26,27)
InChIKey MOXNGQNDLFKYES-UHFFFAOYSA-N
Molecular Weight 452.506 g/mol
SMILES OC(COc1c(cc(SCc2sc(c(c2)C)-c2ccc(C(F)(F)F)cc2)cc1)C)=O
SPLASH splash10-0a4i-0090100000-d14a85b00f14ad1d7dd4
Source of Spectrum F5-4-4524-3a
Synonyms {2-Methyl-4-[4'-methyl-5'-(4''-trifluoromethyl-phenyl)-thiopen-2'-ylmethylthio]phenoxy}-acetic acid 2-(2-Methyl-4-(((4-methyl-5-(4-(trifluoromethyl)phenyl)thiophen-2-yl)methyl)thio)phenoxy)acetic acid 2-[2-methyl-4-[[4-methyl-5-[4-(trifluoromethyl)phenyl]-2-thiophenyl]methylthio]phenoxy]acetic acid 2-[2-methyl-4-[[4-methyl-5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylsulfanyl]phenoxy]acetic acid 2-[2-methyl-4-[[4-methyl-5-[4-(trifluoromethyl)phenyl]-2-thienyl]methylsulfanyl]phenoxy]acetic acid 2-[2-methyl-4-[[4-methyl-5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylsulfanyl]phenoxy]ethanoic acid
Wiley ID 1733053