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1H-Pyrrole-3-carboxylic acid, 4-[(3,4-dimethoxybenzoyl)amino]-4,5-dihydro-2-methyl-5-oxo-4-(trifluoromethyl)-, methyl ester

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

1H-Pyrrole-3-carboxylic acid, 4-[(3,4-dimethoxybenzoyl)amino]-4,5-dihydro-2-methyl-5-oxo-4-(trifluoromethyl)-, methyl ester
SpectraBase Compound ID 75UVrd3FLmo
InChI InChI=1S/C17H17F3N2O6/c1-8-12(14(24)28-4)16(15(25)21-8,17(18,19)20)22-13(23)9-5-6-10(26-2)11(7-9)27-3/h5-7H,1-4H3,(H,21,25)(H,22,23)
InChIKey CPGUPWCTPKCUSN-UHFFFAOYSA-N
Mol Weight 402.33 g/mol
Molecular Formula C17H17F3N2O6
Exact Mass 402.103871 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BL3oXYLr69H
Name 1H-Pyrrole-3-carboxylic acid, 4-[(3,4-dimethoxybenzoyl)amino]-4,5-dihydro-2-methyl-5-oxo-4-(trifluoromethyl)-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.103870758 u
Formula C17H17F3N2O6
InChI InChI=1S/C17H17F3N2O6/c1-8-12(14(24)28-4)16(15(25)21-8,17(18,19)20)22-13(23)9-5-6-10(26-2)11(7-9)27-3/h5-7H,1-4H3,(H,21,25)(H,22,23)
InChIKey CPGUPWCTPKCUSN-UHFFFAOYSA-N
Molecular Weight 402.326 g/mol
SMILES C1(C(NC(=C1C(OC)=O)C)=O)(C(F)(F)F)NC(C=1C=C(C(=CC1)OC)OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959908