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Ethyl 2-(4-{[(4-chlorophenyl)carbamoyl](methyl)amino}phenyl)-3,3,3-trifluoro-2-hydroxypropanoate
SpectraBase Compound ID dbdQ7wQrzr
InChI InChI=1S/C19H18ClF3N2O4/c1-3-29-16(26)18(28,19(21,22)23)12-4-10-15(11-5-12)25(2)17(27)24-14-8-6-13(20)7-9-14/h4-11,28H,3H2,1-2H3,(H,24,27)
InChIKey HBLNFATUEDJFBD-UHFFFAOYSA-N
Mol Weight 430.81 g/mol
Molecular Formula C19H18ClF3N2O4
Exact Mass 430.090719 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3y0JkjGTLc
Name 2-{4-[3-(4-chlorophenyl)-1-methylureido]phenyl}-2-hydroxy-3,3,3-trifluoropropionic acid ethyl ester
Appearance White crystalline substance
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Formula C19H18ClF3N2O4
InChI InChI=1S/C19H18ClF3N2O4/c1-3-29-16(26)18(28,19(21,22)23)12-4-10-15(11-5-12)25(2)17(27)24-14-8-6-13(20)7-9-14/h4-11,28H,3H2,1-2H3,(H,24,27)
InChIKey HBLNFATUEDJFBD-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 430.811 g/mol
SMILES N(c1ccc(cc1)Cl)C(N(c1ccc(C(C(OCC)=O)(C(F)(F)F)O)cc1)C)=O
SPLASH splash10-0f89-0980100000-8b6b6909fe506e629c8f
Source of Spectrum RU2666732C1
Wiley ID 1870634