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Benzeneacetic acid, 4-[[[[1-(ethoxycarbonyl)-2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethyl]amino]carbonyl]amino]-.alpha.-hydroxy-.alpha.-(trifluoromethyl)-, methyl ester
SpectraBase Compound ID 5pswG2LjaxE
InChI InChI=1S/C18H17F9N2O7/c1-3-35-12(31)16(18(25,26)27,36-8-14(19,20)21)29-13(32)28-10-6-4-9(5-7-10)15(33,11(30)34-2)17(22,23)24/h4-7,33H,3,8H2,1-2H3,(H2,28,29,32)
InChIKey JTFFPXJAZUTLAR-UHFFFAOYSA-N
Mol Weight 544.33 g/mol
Molecular Formula C18H17F9N2O7
Exact Mass 544.089204 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2zaa0l4yPSe
Name Benzeneacetic acid, 4-[[[[1-(ethoxycarbonyl)-2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethyl]amino]carbonyl]amino]-.alpha.-hydroxy-.alpha.-(trifluoromethyl)-, methyl ester
Alternate Name(s) Ethyl 3,3,3-trifluoro-2-({[4-(1,1,1-trifluoro-2-hydroxy-3-methoxy-3-oxopropan-2-yl)phenyl]carbamoyl}amino)-2-(2,2,2-trifluoroethoxy)propanoate 2-[4-[[[[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(2,2,2-trifluoroethoxy)propan-2-yl]amino]-oxomethyl]amino]phenyl]-3,3,3-trifluoro-2-hydroxypropanoic acid methyl ester Methyl 2-[4-[[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(2,2,2-trifluoroethoxy)propan-2-yl]carbamoylamino]phenyl]-3,3,3-trifluoro-2-hydroxypropanoate Methyl 2-[4-[[1-ethoxycarbonyl-2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethyl]carbamoylamino]phenyl]-3,3,3-trifluoro-2-hydroxy-propanoate Methyl 2-[4-[[3-ethoxy-1,1,1-tris(fluoranyl)-3-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethoxy]propan-2-yl]carbamoylamino]phenyl]-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate
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Formula C18H17F9N2O7
InChI InChI=1S/C18H17F9N2O7/c1-3-35-12(31)16(18(25,26)27,36-8-14(19,20)21)29-13(32)28-10-6-4-9(5-7-10)15(33,11(30)34-2)17(22,23)24/h4-7,33H,3,8H2,1-2H3,(H2,28,29,32)
InChIKey JTFFPXJAZUTLAR-UHFFFAOYSA-N
Molecular Weight 544.327 g/mol
SMILES N(C(C(F)(F)F)(C(=O)OCC)OCC(F)(F)F)C(Nc1ccc(C(C(F)(F)F)(C(=O)OC)O)cc1)=O
SPLASH splash10-00r7-5921000000-1da25362d55ab7d3e798
Source of Spectrum IY-2-5041-6
Wiley ID 1658399