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1-Ethyl-4-phenylpyrrole-2,3-dicarboxylic acid, dimethyl ester

View entire compound with spectra: 2 FTIR, and 1 Raman

1-Ethyl-4-phenylpyrrole-2,3-dicarboxylic acid, dimethyl ester
SpectraBase Compound ID Garh9QXOBG1
InChI InChI=1S/C16H17NO4/c1-4-17-10-12(11-8-6-5-7-9-11)13(15(18)20-2)14(17)16(19)21-3/h5-10H,4H2,1-3H3
InChIKey KSZNOCYVPHQGQJ-UHFFFAOYSA-N
Mol Weight 287.31 g/mol
Molecular Formula C16H17NO4
Exact Mass 287.115758 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID A5CifpMOHOU
Name 1-Ethyl-4-phenylpyrrole-2,3-dicarboxylic acid, dimethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 287.115758027 u
Formula C16H17NO4
InChI InChI=1S/C16H17NO4/c1-4-17-10-12(11-8-6-5-7-9-11)13(15(18)20-2)14(17)16(19)21-3/h5-10H,4H2,1-3H3
InChIKey KSZNOCYVPHQGQJ-UHFFFAOYSA-N
SMILES C=1C=CC=CC1C=1C(=C(N(C1)CC)C(=O)OC)C(=O)OC
Spectrum/Structure Validation Score (Raman) 0.883248