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1H-Pyrrole-3-carboxylic acid, 1-cyclohexyl-4-[[4-(1,1-dimethylethyl)benzoyl]amino]-4,5-dihydro-2-methyl-5-oxo-4-(trifluoromethyl)-, methyl ester
SpectraBase Compound ID LsyVB2r7ysP
InChI InChI=1S/C25H31F3N2O4/c1-15-19(21(32)34-5)24(25(26,27)28,22(33)30(15)18-9-7-6-8-10-18)29-20(31)16-11-13-17(14-12-16)23(2,3)4/h11-14,18H,6-10H2,1-5H3,(H,29,31)
InChIKey MHQUWJUJUHREKQ-UHFFFAOYSA-N
Mol Weight 480.53 g/mol
Molecular Formula C25H31F3N2O4
Exact Mass 480.223592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5fE7M0aXs4T
Name 1H-Pyrrole-3-carboxylic acid, 1-cyclohexyl-4-[[4-(1,1-dimethylethyl)benzoyl]amino]-4,5-dihydro-2-methyl-5-oxo-4-(trifluoromethyl)-, methyl ester
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Formula C25H31F3N2O4
InChI InChI=1S/C25H31F3N2O4/c1-15-19(21(32)34-5)24(25(26,27)28,22(33)30(15)18-9-7-6-8-10-18)29-20(31)16-11-13-17(14-12-16)23(2,3)4/h11-14,18H,6-10H2,1-5H3,(H,29,31)
InChIKey MHQUWJUJUHREKQ-UHFFFAOYSA-N
Molecular Weight 480.528 g/mol
SMILES N(C1(C(N(C(=C1C(=O)OC)C)C1CCCCC1)=O)C(F)(F)F)C(=O)c1ccc(cc1)C(C)(C)C
SPLASH splash10-03di-3900000000-a97885acf3711d42d066
Source of Spectrum IY-2-5042-3
Synonyms Methyl 4-[(4-tert-butylbenzene)amido]-1-cyclohexyl-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate 4-[[(4-tert-butylphenyl)-oxomethyl]amino]-1-cyclohexyl-2-methyl-5-oxo-4-(trifluoromethyl)-3-pyrrolecarboxylic acid methyl ester Methyl 4-[(4-tert-butylbenzoyl)amino]-1-cyclohexyl-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate Methyl 4-[(4-tert-butylphenyl)carbonylamino]-1-cyclohexyl-2-methyl-5-oxidanylidene-4-(trifluoromethyl)pyrrole-3-carboxylate
Wiley ID 1658406