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3,3,3-Trifluoro-2-[3-(4-trifluoromethoxy-phenyl)-ureido]-2-(3-trifluoromethyl-phenylamino)-propionic acid methyl ester
SpectraBase Compound ID AJzazJM51tO
InChI InChI=1S/C19H14F9N3O4/c1-34-14(32)16(18(23,24)25,30-12-4-2-3-10(9-12)17(20,21)22)31-15(33)29-11-5-7-13(8-6-11)35-19(26,27)28/h2-9,30H,1H3,(H2,29,31,33)
InChIKey XAALKDJGTUUBOG-UHFFFAOYSA-N
Mol Weight 519.32 g/mol
Molecular Formula C19H14F9N3O4
Exact Mass 519.084059 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BAb7XHtAFQe
Name 3,3,3-Trifluoro-2-[3-(4-trifluoromethoxy-phenyl)-ureido]-2-(3-trifluoromethyl-phenylamino)-propionic acid methyl ester
Alternate Name(s) 3,3,3-trifluoro-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-2-[3-(trifluoromethyl)anilino]propionic acid methyl ester 3,3,3-trifluoro-2-[[oxo-[4-(trifluoromethoxy)anilino]methyl]amino]-2-[3-(trifluoromethyl)anilino]propanoic acid methyl ester Methyl 3,3,3-trifluoro-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-2-[3-(trifluoromethyl)anilino]propanoate Methyl 3,3,3-tris(fluoranyl)-2-[[4-(trifluoromethyloxy)phenyl]carbamoylamino]-2-[[3-(trifluoromethyl)phenyl]amino]propanoate
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Formula C19H14F9N3O4
InChI InChI=1S/C19H14F9N3O4/c1-34-14(32)16(18(23,24)25,30-12-4-2-3-10(9-12)17(20,21)22)31-15(33)29-11-5-7-13(8-6-11)35-19(26,27)28/h2-9,30H,1H3,(H2,29,31,33)
InChIKey XAALKDJGTUUBOG-UHFFFAOYSA-N
Molecular Weight 519.324 g/mol
SMILES N(C(C(F)(F)F)(C(=O)OC)Nc1cc(C(F)(F)F)ccc1)C(Nc1ccc(OC(F)(F)F)cc1)=O
SPLASH splash10-0bvj-4940000000-c219832bd142f7132bb4
Wiley ID 1436982