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2H-Pyrrole-4,5-dicarboxylic acid, 2,2-dimethyl-3-phenyl-, diethyl ester

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

2H-Pyrrole-4,5-dicarboxylic acid, 2,2-dimethyl-3-phenyl-, diethyl ester
SpectraBase Compound ID D0UsBgxyAQy
InChI InChI=1S/C18H21NO4/c1-5-22-16(20)13-14(12-10-8-7-9-11-12)18(3,4)19-15(13)17(21)23-6-2/h7-11H,5-6H2,1-4H3
InChIKey WZXGGXLMEODKOY-UHFFFAOYSA-N
Mol Weight 315.37 g/mol
Molecular Formula C18H21NO4
Exact Mass 315.147058 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JaKTp7uxsyS
Name 2H-Pyrrole-4,5-dicarboxylic acid, 2,2-dimethyl-3-phenyl-, diethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 315.147058156 u
Formula C18H21NO4
InChI InChI=1S/C18H21NO4/c1-5-22-16(20)13-14(12-10-8-7-9-11-12)18(3,4)19-15(13)17(21)23-6-2/h7-11H,5-6H2,1-4H3
InChIKey WZXGGXLMEODKOY-UHFFFAOYSA-N
SMILES C=1(C(=NC(C1C=1C=CC=CC1)(C)C)C(=O)OCC)C(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.984814