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alanine, N-(2,4-difluorophenyl)-3,3,3-trifluoro-2-[[[[4-(trifluoromethoxy)phenyl]amino]carbonyl]amino]-, methyl ester
SpectraBase Compound ID 9FfH4HkL41E
InChI InChI=1S/C18H13F8N3O4/c1-32-14(30)16(17(21,22)23,28-13-7-2-9(19)8-12(13)20)29-15(31)27-10-3-5-11(6-4-10)33-18(24,25)26/h2-8,28H,1H3,(H2,27,29,31)
InChIKey KNKYRKRUEDVREE-UHFFFAOYSA-N
Mol Weight 487.31 g/mol
Molecular Formula C18H13F8N3O4
Exact Mass 487.077831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6KDk6yYA3VT
Name 2-(2,4-Difluoro-phenylamino)-3,3,3-trifluoro-2-[3-(4-trifluoromethoxy-phenyl)-ureido]-propionic acid methyl ester
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Formula C18H13F8N3O4
InChI InChI=1S/C18H13F8N3O4/c1-32-14(30)16(17(21,22)23,28-13-7-2-9(19)8-12(13)20)29-15(31)27-10-3-5-11(6-4-10)33-18(24,25)26/h2-8,28H,1H3,(H2,27,29,31)
InChIKey KNKYRKRUEDVREE-UHFFFAOYSA-N
Molecular Weight 487.306 g/mol
SMILES N(C(C(F)(F)F)(Nc1c(cc(cc1)F)F)C(=O)OC)C(Nc1ccc(OC(F)(F)F)cc1)=O
SPLASH splash10-004i-4940000000-0808b49985024a11bdc9
Synonyms 2-(2,4-difluoroanilino)-3,3,3-trifluoro-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propionic acid methyl ester 2-(2,4-difluoroanilino)-3,3,3-trifluoro-2-[[oxo-[4-(trifluoromethoxy)anilino]methyl]amino]propanoic acid methyl ester Methyl 2-(2,4-difluoroanilino)-3,3,3-trifluoro-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoate Methyl 2-[[2,4-bis(fluoranyl)phenyl]amino]-3,3,3-tris(fluoranyl)-2-[[4-(trifluoromethyloxy)phenyl]carbamoylamino]propanoate
Wiley ID 1436962