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alanine, N-(2-chlorobenzoyl)-2-[[4-(chlorodifluoromethoxy)phenyl]amino]-3,3,3-trifluoro-, methyl ester
SpectraBase Compound ID 1CA3ConOgXV
InChI InChI=1S/C18H13Cl2F5N2O4/c1-30-15(29)16(17(21,22)23,27-14(28)12-4-2-3-5-13(12)19)26-10-6-8-11(9-7-10)31-18(20,24)25/h2-9,26H,1H3,(H,27,28)
InChIKey QZKYXCJLTWLRNB-UHFFFAOYSA-N
Mol Weight 487.21 g/mol
Molecular Formula C18H13Cl2F5N2O4
Exact Mass 486.017253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4lEv13gWESP
Name 2-[(2-chlorobenzoyl)amino]-2-[4-[chloro(difluoro)methoxy]anilino]-3,3,3-trifluoro-propionic acid methyl ester
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Formula C18H13Cl2F5N2O4
InChI InChI=1S/C18H13Cl2F5N2O4/c1-30-15(29)16(17(21,22)23,27-14(28)12-4-2-3-5-13(12)19)26-10-6-8-11(9-7-10)31-18(20,24)25/h2-9,26H,1H3,(H,27,28)
InChIKey QZKYXCJLTWLRNB-UHFFFAOYSA-N
Molecular Weight 487.210 g/mol
SMILES N(C(C(F)(F)F)(C(=O)OC)Nc1ccc(OC(F)(Cl)F)cc1)C(c1c(Cl)cccc1)=O
SPLASH splash10-000i-7900000000-8eae48b11b8c409ce6f6
Synonyms 2-[4-[chloro(difluoro)methoxy]anilino]-2-[[(2-chlorophenyl)-oxomethyl]amino]-3,3,3-trifluoropropanoic acid methyl ester Methyl 2-[(2-chlorobenzoyl)amino]-2-[4-[chloro(difluoro)methoxy]anilino]-3,3,3-trifluoro-propanoate Methyl 2-[[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]amino]-2-[(2-chlorophenyl)carbonylamino]-3,3,3-tris(fluoranyl)propanoate
Wiley ID 1458907