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benzoic acid, 2-[[2-oxo-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]thio]-
SpectraBase Compound ID BwoyRcHnaXT
InChI InChI=1S/C16H12F3NO3S/c17-16(18,19)10-4-3-5-11(8-10)20-14(21)9-24-13-7-2-1-6-12(13)15(22)23/h1-8H,9H2,(H,20,21)(H,22,23)
InChIKey WQHQRLBLRGHAGE-UHFFFAOYSA-N
Mol Weight 355.33 g/mol
Molecular Formula C16H12F3NO3S
Exact Mass 355.048999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BWzWDZPAhMK
Name 2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)benzoic acid
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Formula C16H12F3NO3S
InChI InChI=1S/C16H12F3NO3S/c17-16(18,19)10-4-3-5-11(8-10)20-14(21)9-24-13-7-2-1-6-12(13)15(22)23/h1-8H,9H2,(H,20,21)(H,22,23)
InChIKey WQHQRLBLRGHAGE-UHFFFAOYSA-N
Molecular Weight 355.331 g/mol
SMILES N(C(CSc1c(C(=O)O)cccc1)=O)c1cc(C(F)(F)F)ccc1
SPLASH splash10-0wmr-1900000000-fd6ca04e5c7bc092d8a4
Synonyms 2-[(3-trifluoromethyl-phenylcarbamoyl)-methylsulfanyl]-benzoic acid 2-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]sulfanylbenzoic acid 2-[[2-keto-2-[3-(trifluoromethyl)anilino]ethyl]thio]benzoic acid 2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]thio]benzoic acid
Wiley ID 1451615