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alanine, N-(2-chloro-3-methylphenyl)-3,3,3-trifluoro-2-[[[[4-(trifluoromethoxy)phenyl]amino]carbonyl]amino]-, methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

alanine, N-(2-chloro-3-methylphenyl)-3,3,3-trifluoro-2-[[[[4-(trifluoromethoxy)phenyl]amino]carbonyl]amino]-, methyl ester
SpectraBase Compound ID FV3rhzDS45p
InChI InChI=1S/C19H16ClF6N3O4/c1-10-4-3-5-13(14(10)20)28-17(15(30)32-2,18(21,22)23)29-16(31)27-11-6-8-12(9-7-11)33-19(24,25)26/h3-9,28H,1-2H3,(H2,27,29,31)
InChIKey GXTXXLGHRWRHOC-UHFFFAOYSA-N
Mol Weight 499.8 g/mol
Molecular Formula C19H16ClF6N3O4
Exact Mass 499.073353 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2zElyrTIWxL
Name 2-(2-Chloro-3-methyl-anilino)-3,3,3-trifluoro-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propionic acid methyl ester
Alternate Name(s) 2-(2-Chloro-3-methylanilino)-3,3,3-trifluoro-2-[[oxo-[4-(trifluoromethoxy)anilino]methyl]amino]propanoic acid methyl ester Methyl 2-(2-chloro-3-methyl-anilino)-3,3,3-trifluoro-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoate Methyl 2-[(2-chloranyl-3-methyl-phenyl)amino]-3,3,3-tris(fluoranyl)-2-[[4-(trifluoromethyloxy)phenyl]carbamoylamino]propanoate
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Formula C19H16ClF6N3O4
InChI InChI=1S/C19H16ClF6N3O4/c1-10-4-3-5-13(14(10)20)28-17(15(30)32-2,18(21,22)23)29-16(31)27-11-6-8-12(9-7-11)33-19(24,25)26/h3-9,28H,1-2H3,(H2,27,29,31)
InChIKey GXTXXLGHRWRHOC-UHFFFAOYSA-N
Molecular Weight 499.797 g/mol
SMILES N(C(C(F)(F)F)(Nc1c(c(C)ccc1)Cl)C(=O)OC)C(Nc1ccc(OC(F)(F)F)cc1)=O
SPLASH splash10-002p-6940300000-3680ef9ffb6ffe777023
Source of Spectrum AD-0-2532-0
Wiley ID 1435986