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Ethyl 2-(4-{[(3-chloro-4-fluorophenyl)carbamoyl]amino}phenyl)-3,3,3-trifluoro-2-hydroxypropanoate
SpectraBase Compound ID LS24sOBH7uk
InChI InChI=1S/C18H15ClF4N2O4/c1-2-29-15(26)17(28,18(21,22)23)10-3-5-11(6-4-10)24-16(27)25-12-7-8-14(20)13(19)9-12/h3-9,28H,2H2,1H3,(H2,24,25,27)
InChIKey VLFKXQZJSYWPCW-UHFFFAOYSA-N
Mol Weight 434.77 g/mol
Molecular Formula C18H15ClF4N2O4
Exact Mass 434.065647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CdPrItvnu2S
Name Ethyl 2-(4-{[(3-chloro-4-fluorophenyl)carbamoyl]amino}phenyl)-3,3,3-trifluoro-2-hydroxypropanoate
Alternate Name(s) 2-[4-[[(3-chloro-4-fluoroanilino)-oxomethyl]amino]phenyl]-3,3,3-trifluoro-2-hydroxypropanoic acid ethyl ester Ethyl 2-[4-[(3-chloro-4-fluorophenyl)carbamoylamino]phenyl]-3,3,3-trifluoro-2-hydroxypropanoate Ethyl 2-[4-[(3-chloro-4-fluoro-phenyl)carbamoylamino]phenyl]-3,3,3-trifluoro-2-hydroxy-propanoate Ethyl 2-[4-[(3-chloranyl-4-fluoranyl-phenyl)carbamoylamino]phenyl]-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate
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Formula C18H15ClF4N2O4
InChI InChI=1S/C18H15ClF4N2O4/c1-2-29-15(26)17(28,18(21,22)23)10-3-5-11(6-4-10)24-16(27)25-12-7-8-14(20)13(19)9-12/h3-9,28H,2H2,1H3,(H2,24,25,27)
InChIKey VLFKXQZJSYWPCW-UHFFFAOYSA-N
Molecular Weight 434.775 g/mol
SMILES N(c1ccc(C(O)(C(=O)OCC)C(F)(F)F)cc1)C(=O)Nc1cc(c(cc1)F)Cl
SPLASH splash10-006w-2900000000-eb0b4b46713cb362933b
Source of Spectrum IY-2-5047-5
Wiley ID 1658458