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1H-Pyrrole-3-carboxylic acid, 1-cyclohexyl-4-[(2,4-dichlorobenzoyl)amino]-4,5-dihydro-2-methyl-5-oxo-4-(trifluoromethyl)-, ethyl ester
SpectraBase Compound ID scH5ZEWSbw
InChI InChI=1S/C22H23Cl2F3N2O4/c1-3-33-19(31)17-12(2)29(14-7-5-4-6-8-14)20(32)21(17,22(25,26)27)28-18(30)15-10-9-13(23)11-16(15)24/h9-11,14H,3-8H2,1-2H3,(H,28,30)
InChIKey KTNFHCHSRQQDGP-UHFFFAOYSA-N
Mol Weight 507.34 g/mol
Molecular Formula C22H23Cl2F3N2O4
Exact Mass 506.098697 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LyVQV8XK04Q
Name 1H-Pyrrole-3-carboxylic acid, 1-cyclohexyl-4-[(2,4-dichlorobenzoyl)amino]-4,5-dihydro-2-methyl-5-oxo-4-(trifluoromethyl)-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23Cl2F3N2O4
InChI InChI=1S/C22H23Cl2F3N2O4/c1-3-33-19(31)17-12(2)29(14-7-5-4-6-8-14)20(32)21(17,22(25,26)27)28-18(30)15-10-9-13(23)11-16(15)24/h9-11,14H,3-8H2,1-2H3,(H,28,30)
InChIKey KTNFHCHSRQQDGP-UHFFFAOYSA-N
Molecular Weight 507.337 g/mol
SMILES N(C1(C(N(C(=C1C(OCC)=O)C)C1CCCCC1)=O)C(F)(F)F)C(=O)c1c(cc(cc1)Cl)Cl
SPLASH splash10-0adl-8910000000-d81768310d1d32ee42a7
Source of Spectrum IY-2-5050-5
Synonyms Ethyl 1-cyclohexyl-4-[(2,4-dichlorobenzene)amido]-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate 1-cyclohexyl-4-[[(2,4-dichlorophenyl)-oxomethyl]amino]-2-methyl-5-oxo-4-(trifluoromethyl)-3-pyrrolecarboxylic acid ethyl ester Ethyl 1-cyclohexyl-4-[(2,4-dichlorobenzoyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate Ethyl 1-cyclohexyl-4-[(2,4-dichlorophenyl)carbonylamino]-2-methyl-5-oxidanylidene-4-(trifluoromethyl)pyrrole-3-carboxylate
Wiley ID 1658488