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alanine, 3,3,3-trifluoro-N-(4-fluorophenyl)-2-[[[[4-(trifluoromethoxy)phenyl]amino]carbonyl]amino]-, methyl ester
SpectraBase Compound ID 8uWBnjWdhKI
InChI InChI=1S/C18H14F7N3O4/c1-31-14(29)16(17(20,21)22,27-12-4-2-10(19)3-5-12)28-15(30)26-11-6-8-13(9-7-11)32-18(23,24)25/h2-9,27H,1H3,(H2,26,28,30)
InChIKey DNBIKAZKBFVDMP-UHFFFAOYSA-N
Mol Weight 469.32 g/mol
Molecular Formula C18H14F7N3O4
Exact Mass 469.087253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BG9IGnRZBpX
Name 3,3,3-trifluoro-2-(4-fluoroanilino)-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propionic acid methyl ester
Alternate Name(s) 3,3,3-trifluoro-2-(4-fluoroanilino)-2-[[oxo-[4-(trifluoromethoxy)anilino]methyl]amino]propanoic acid methyl ester Methyl 3,3,3-trifluoro-2-(4-fluoroanilino)-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoate Methyl 3,3,3-tris(fluoranyl)-2-[(4-fluorophenyl)amino]-2-[[4-(trifluoromethyloxy)phenyl]carbamoylamino]propanoate
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Formula C18H14F7N3O4
InChI InChI=1S/C18H14F7N3O4/c1-31-14(29)16(17(20,21)22,27-12-4-2-10(19)3-5-12)28-15(30)26-11-6-8-13(9-7-11)32-18(23,24)25/h2-9,27H,1H3,(H2,26,28,30)
InChIKey DNBIKAZKBFVDMP-UHFFFAOYSA-N
Molecular Weight 469.316 g/mol
SMILES N(C(C(F)(F)F)(C(=O)OC)Nc1ccc(cc1)F)C(Nc1ccc(OC(F)(F)F)cc1)=O
SPLASH splash10-0401-9620000000-e3689e5ff66612ebd554
Wiley ID 1453717