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3,3,3-trifluoro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propionic acid ethyl ester
SpectraBase Compound ID 1bQwEgAx1L9
InChI InChI=1S/C13H12F6N2O3/c1-2-24-10(22)9(13(17,18)19)21-11(23)20-8-5-3-4-7(6-8)12(14,15)16/h3-6,9H,2H2,1H3,(H2,20,21,23)
InChIKey XEPSSYVRNUWVTB-UHFFFAOYSA-N
Mol Weight 358.24 g/mol
Molecular Formula C13H12F6N2O3
Exact Mass 358.075211 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7bSatEIJb71
Name 3,3,3-trifluoro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propionic acid ethyl ester
Alternate Name(s) 3,3,3-trifluoro-2-[[oxo-[3-(trifluoromethyl)anilino]methyl]amino]propanoic acid ethyl ester Ethyl 3,3,3-trifluoro-2-(([3-(trifluoromethyl)anilino]carbonyl)amino)propanoate Ethyl 3,3,3-trifluoro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propanoate Ethyl 3,3,3-tris(fluoranyl)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propanoate
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Formula C13H12F6N2O3
InChI InChI=1S/C13H12F6N2O3/c1-2-24-10(22)9(13(17,18)19)21-11(23)20-8-5-3-4-7(6-8)12(14,15)16/h3-6,9H,2H2,1H3,(H2,20,21,23)
InChIKey XEPSSYVRNUWVTB-UHFFFAOYSA-N
Molecular Weight 358.240 g/mol
SMILES N(c1cccc(c1)C(F)(F)F)C(=O)NC(C(F)(F)F)C(=O)OCC
SPLASH splash10-03di-3900000000-876fb59a1bf9cd1bc54a
Wiley ID 1468035