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2-Benzamido-3,3,3-trifluoro-2-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)propionic acid methyl ester
SpectraBase Compound ID DSTQGJMMhsr
InChI InChI=1S/C21H18F3N3O4/c1-13-16(18(29)27(26-13)15-11-7-4-8-12-15)20(19(30)31-2,21(22,23)24)25-17(28)14-9-5-3-6-10-14/h3-12,26H,1-2H3,(H,25,28)
InChIKey KKUGDVNVLMCKQX-UHFFFAOYSA-N
Mol Weight 433.39 g/mol
Molecular Formula C21H18F3N3O4
Exact Mass 433.124941 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K83jYtACvmN
Name 2-Benzamido-3,3,3-trifluoro-2-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)propionic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18F3N3O4
InChI InChI=1S/C21H18F3N3O4/c1-13-16(18(29)27(26-13)15-11-7-4-8-12-15)20(19(30)31-2,21(22,23)24)25-17(28)14-9-5-3-6-10-14/h3-12,26H,1-2H3,(H,25,28)
InChIKey KKUGDVNVLMCKQX-UHFFFAOYSA-N
Molecular Weight 433.387 g/mol
SMILES N(C(C1=C(NN(C1=O)c1ccccc1)C)(C(F)(F)F)C(=O)OC)C(=O)c1ccccc1
SPLASH splash10-0a6r-8910000000-346148d6859776e65a03
Synonyms 2-Benzamido-3,3,3-trifluoro-2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propanoic acid methyl ester Methyl 2-benzamido-3,3,3-trifluoro-2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propanoate Methyl 2-benzamido-3,3,3-tris(fluoranyl)-2-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)propanoate
Wiley ID 1443763