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1H-Pyrrole-3-carboxylic acid, 4-[(2,4-dichlorobenzoyl)amino]-4,5-dihydro-2-methyl-5-oxo-1-propyl-4-(trifluoromethyl)-, methyl ester
SpectraBase Compound ID 54VDwdy3FDU
InChI InChI=1S/C18H17Cl2F3N2O4/c1-4-7-25-9(2)13(15(27)29-3)17(16(25)28,18(21,22)23)24-14(26)11-6-5-10(19)8-12(11)20/h5-6,8H,4,7H2,1-3H3,(H,24,26)
InChIKey HBBLGFONLNUTRB-UHFFFAOYSA-N
Mol Weight 453.25 g/mol
Molecular Formula C18H17Cl2F3N2O4
Exact Mass 452.051747 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8p8OiIXrTfL
Name 1H-Pyrrole-3-carboxylic acid, 4-[(2,4-dichlorobenzoyl)amino]-4,5-dihydro-2-methyl-5-oxo-1-propyl-4-(trifluoromethyl)-, methyl ester
Alternate Name(s) Methyl 4-[(2,4-dichlorobenzene)amido]-2-methyl-5-oxo-1-propyl-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate 4-[[(2,4-dichlorophenyl)-oxomethyl]amino]-2-methyl-5-oxo-1-propyl-4-(trifluoromethyl)-3-pyrrolecarboxylic acid methyl ester Methyl 4-[(2,4-dichlorobenzoyl)amino]-2-methyl-5-oxo-1-propyl-4-(trifluoromethyl)pyrrole-3-carboxylate Methyl 4-[(2,4-dichlorophenyl)carbonylamino]-2-methyl-5-oxidanylidene-1-propyl-4-(trifluoromethyl)pyrrole-3-carboxylate
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Formula C18H17Cl2F3N2O4
InChI InChI=1S/C18H17Cl2F3N2O4/c1-4-7-25-9(2)13(15(27)29-3)17(16(25)28,18(21,22)23)24-14(26)11-6-5-10(19)8-12(11)20/h5-6,8H,4,7H2,1-3H3,(H,24,26)
InChIKey HBBLGFONLNUTRB-UHFFFAOYSA-N
Molecular Weight 453.245 g/mol
SMILES N(C1(C(N(C(=C1C(=O)OC)C)CCC)=O)C(F)(F)F)C(=O)c1c(cc(cc1)Cl)Cl
SPLASH splash10-00fr-2901000000-c24c92076543bfcf7544
Source of Spectrum IY-2-5052-4
Wiley ID 1658507