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Ethyl 1-cyclohexyl-4-[(cyclohexylcarbonyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
SpectraBase Compound ID 5YWcr8LvkMN
InChI InChI=1S/C22H31F3N2O4/c1-3-31-19(29)17-14(2)27(16-12-8-5-9-13-16)20(30)21(17,22(23,24)25)26-18(28)15-10-6-4-7-11-15/h15-16H,3-13H2,1-2H3,(H,26,28)
InChIKey IWSNDXIYQKFCDZ-UHFFFAOYSA-N
Mol Weight 444.5 g/mol
Molecular Formula C22H31F3N2O4
Exact Mass 444.223592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DPAch1LPNo5
Name Ethyl 1-cyclohexyl-4-[(cyclohexylcarbonyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31F3N2O4
InChI InChI=1S/C22H31F3N2O4/c1-3-31-19(29)17-14(2)27(16-12-8-5-9-13-16)20(30)21(17,22(23,24)25)26-18(28)15-10-6-4-7-11-15/h15-16H,3-13H2,1-2H3,(H,26,28)
InChIKey IWSNDXIYQKFCDZ-UHFFFAOYSA-N
Molecular Weight 444.495 g/mol
SMILES N(C1(C(N(C(=C1C(OCC)=O)C)C1CCCCC1)=O)C(F)(F)F)C(=O)C1CCCCC1
SPLASH splash10-0a5c-9221100000-2c346bf546a12f3529c1
Source of Spectrum IY-2-5049-4
Synonyms 1H-Pyrrole-3-carboxylic acid, 1-cyclohexyl-4-[(cyclohexylcarbonyl)amino]-4,5-dihydro-2-methyl-5-oxo-4-(trifluoromethyl)-, ethyl ester Ethyl 4-cyclohexaneamido-1-cyclohexyl-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Wiley ID 1658477