For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1H-Pyrrole-3-carboxylic acid, 4-[[4-(1,1-dimethylethyl)benzoyl]amino]-4,5-dihydro-2-methyl-1-(1-methylethyl)-5-oxo-4-(trifluoromethyl)-, methyl ester
SpectraBase Compound ID F9HXOnlJfbe
InChI InChI=1S/C22H27F3N2O4/c1-12(2)27-13(3)16(18(29)31-7)21(19(27)30,22(23,24)25)26-17(28)14-8-10-15(11-9-14)20(4,5)6/h8-12H,1-7H3,(H,26,28)
InChIKey RITDZVFZQNSMOL-UHFFFAOYSA-N
Mol Weight 440.46 g/mol
Molecular Formula C22H27F3N2O4
Exact Mass 440.192292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CqaDP2K3gnR
Name 1H-Pyrrole-3-carboxylic acid, 4-[[4-(1,1-dimethylethyl)benzoyl]amino]-4,5-dihydro-2-methyl-1-(1-methylethyl)-5-oxo-4-(trifluoromethyl)-, methyl ester
Alternate Name(s) Methyl 4-[(4-tert-butylbenzene)amido]-2-methyl-5-oxo-1-(propan-2-yl)-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate 4-[[(4-tert-butylphenyl)-oxomethyl]amino]-2-methyl-5-oxo-1-propan-2-yl-4-(trifluoromethyl)-3-pyrrolecarboxylic acid methyl ester Methyl 4-[(4-tert-butylbenzoyl)amino]-2-methyl-5-oxo-1-propan-2-yl-4-(trifluoromethyl)pyrrole-3-carboxylate Methyl 4-[(4-tert-butylbenzoyl)amino]-1-isopropyl-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate Methyl 4-[(4-tert-butylphenyl)carbonylamino]-2-methyl-5-oxidanylidene-1-propan-2-yl-4-(trifluoromethyl)pyrrole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27F3N2O4
InChI InChI=1S/C22H27F3N2O4/c1-12(2)27-13(3)16(18(29)31-7)21(19(27)30,22(23,24)25)26-17(28)14-8-10-15(11-9-14)20(4,5)6/h8-12H,1-7H3,(H,26,28)
InChIKey RITDZVFZQNSMOL-UHFFFAOYSA-N
Molecular Weight 440.463 g/mol
SMILES N(C1(C(N(C(=C1C(=O)OC)C)C(C)C)=O)C(F)(F)F)C(=O)c1ccc(cc1)C(C)(C)C
SPLASH splash10-03di-3900000000-74abda7cf31806535491
Source of Spectrum IY-2-5043-3
Wiley ID 1658416