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2-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3,3,3-trifluoro-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propanoic acid methyl ester
SpectraBase Compound ID 7NM2XaVR2ML
InChI InChI=1S/C17H15F6N3O4/c1-9-11(12(27)26(25(9)2)10-7-5-4-6-8-10)15(14(29)30-3,17(21,22)23)24-13(28)16(18,19)20/h4-8H,1-3H3,(H,24,28)
InChIKey IOCQQAYXCBYNIS-UHFFFAOYSA-N
Mol Weight 439.31 g/mol
Molecular Formula C17H15F6N3O4
Exact Mass 439.096675 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GZ4TsGxmyxJ
Name 2-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3,3,3-trifluoro-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propanoic acid methyl ester
Alternate Name(s) 3,3,3-trifluoro-2-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-[(2,2,2-trifluoroacetyl)amino]propionic acid methyl ester Methyl 2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3,3,3-tris(fluoranyl)-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoate Methyl 2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-[(trifluoroacetyl)amino]propanoate Methyl 2-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3,3,3-trifluoro-2-[(2,2,2-trifluoroacetyl)amino]propanoate
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Formula C17H15F6N3O4
InChI InChI=1S/C17H15F6N3O4/c1-9-11(12(27)26(25(9)2)10-7-5-4-6-8-10)15(14(29)30-3,17(21,22)23)24-13(28)16(18,19)20/h4-8H,1-3H3,(H,24,28)
InChIKey IOCQQAYXCBYNIS-UHFFFAOYSA-N
Molecular Weight 439.314 g/mol
SMILES N(C(C=1C(N(c2ccccc2)N(C1C)C)=O)(C(F)(F)F)C(=O)OC)C(C(F)(F)F)=O
SPLASH splash10-06si-9325100000-7a8cd5dff1ac4088ee09
Wiley ID 1442253