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

*Links on SpectraBase are not permalinks.
1H-Pyrrole-3-carboxylic acid, 1-cyclohexyl-4-[(cyclohexylcarbonyl)amino]-4,5-dihydro-2-methyl-5-oxo-4-(trifluoromethyl)-, methyl ester
SpectraBase Compound ID 8kpnBmLK2AI
InChI InChI=1S/C21H29F3N2O4/c1-13-16(18(28)30-2)20(21(22,23)24,25-17(27)14-9-5-3-6-10-14)19(29)26(13)15-11-7-4-8-12-15/h14-15H,3-12H2,1-2H3,(H,25,27)
InChIKey KHAGNADXVFEGOW-UHFFFAOYSA-N
Mol Weight 430.47 g/mol
Molecular Formula C21H29F3N2O4
Exact Mass 430.207942 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 3VUfcvijwbt
Name 1H-Pyrrole-3-carboxylic acid, 1-cyclohexyl-4-[(cyclohexylcarbonyl)amino]-4,5-dihydro-2-methyl-5-oxo-4-(trifluoromethyl)-, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29F3N2O4
InChI InChI=1S/C21H29F3N2O4/c1-13-16(18(28)30-2)20(21(22,23)24,25-17(27)14-9-5-3-6-10-14)19(29)26(13)15-11-7-4-8-12-15/h14-15H,3-12H2,1-2H3,(H,25,27)
InChIKey KHAGNADXVFEGOW-UHFFFAOYSA-N
Molecular Weight 430.468 g/mol
SMILES N(C1(C(N(C(=C1C(=O)OC)C)C1CCCCC1)=O)C(F)(F)F)C(=O)C1CCCCC1
SPLASH splash10-053r-9242100000-f243b308c17616aec227
Source of Spectrum IY-2-5049-6
Synonyms Methyl 4-cyclohexaneamido-1-cyclohexyl-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate 1-cyclohexyl-4-[[cyclohexyl(oxo)methyl]amino]-2-methyl-5-oxo-4-(trifluoromethyl)-3-pyrrolecarboxylic acid methyl ester Methyl 4-(cyclohexanecarbonylamino)-1-cyclohexyl-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate Methyl 1-cyclohexyl-4-(cyclohexylcarbonylamino)-2-methyl-5-oxidanylidene-4-(trifluoromethyl)pyrrole-3-carboxylate
Wiley ID 1658479