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1H-pyrrole-3-carboxylic acid, 1-(4-carboxyphenyl)-2-methyl-5-phenyl-, ethyl ester

View entire compound with spectra: 2 NMR

1H-pyrrole-3-carboxylic acid, 1-(4-carboxyphenyl)-2-methyl-5-phenyl-, ethyl ester
SpectraBase Compound ID 1tjc2pCljHF
InChI InChI=1S/C21H19NO4/c1-3-26-21(25)18-13-19(15-7-5-4-6-8-15)22(14(18)2)17-11-9-16(10-12-17)20(23)24/h4-13H,3H2,1-2H3,(H,23,24)
InChIKey BUJVUPVCMDIDAQ-UHFFFAOYSA-N
Mol Weight 349.39 g/mol
Molecular Formula C21H19NO4
Exact Mass 349.131408 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1wDWuW2ZyyS
Name 1H-Pyrrole-3-carboxylic acid, 1-(4-carboxyphenyl)-2-methyl-5-phenyl-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 349.131408092 u
Formula C21H19NO4
InChI InChI=1S/C21H19NO4/c1-3-26-21(25)18-13-19(15-7-5-4-6-8-15)22(14(18)2)17-11-9-16(10-12-17)20(23)24/h4-13H,3H2,1-2H3,(H,23,24)
InChIKey BUJVUPVCMDIDAQ-UHFFFAOYSA-N
Molecular Weight 349.386 g/mol
SMILES OC(C=1C=CC(N2C(=C(C=C2C=2C=CC=CC2)C(=O)OCC)C)=CC1)=O