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3,3,3-trifluoro-2-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)-2-[(2,2,2-trifluoroacetyl)amino]propionic acid methyl ester
SpectraBase Compound ID CGqUW7sze03
InChI InChI=1S/C16H13F6N3O4/c1-8-10(11(26)25(24-8)9-6-4-3-5-7-9)14(13(28)29-2,16(20,21)22)23-12(27)15(17,18)19/h3-7,24H,1-2H3,(H,23,27)
InChIKey UNWIXEPUHYXZDT-UHFFFAOYSA-N
Mol Weight 425.29 g/mol
Molecular Formula C16H13F6N3O4
Exact Mass 425.081025 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ez7qoCM5aQL
Name 3,3,3-trifluoro-2-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)-2-[(2,2,2-trifluoroacetyl)amino]propionic acid methyl ester
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Formula C16H13F6N3O4
InChI InChI=1S/C16H13F6N3O4/c1-8-10(11(26)25(24-8)9-6-4-3-5-7-9)14(13(28)29-2,16(20,21)22)23-12(27)15(17,18)19/h3-7,24H,1-2H3,(H,23,27)
InChIKey UNWIXEPUHYXZDT-UHFFFAOYSA-N
Molecular Weight 425.287 g/mol
SMILES N(C(C1=C(NN(C1=O)c1ccccc1)C)(C(F)(F)F)C(=O)OC)C(C(F)(F)F)=O
SPLASH splash10-0w4l-9352000000-9dbab49bc13b1e974d6a
Synonyms 3,3,3-trifluoro-2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propanoic acid methyl ester Methyl 3,3,3-trifluoro-2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate Methyl 3,3,3-trifluoro-2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(trifluoroacetyl)amino]propanoate Methyl 3,3,3-tris(fluoranyl)-2-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoate
Wiley ID 1444536