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2-[3-(Ethoxycarbonyl)-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-1-yl]benzoic acid
SpectraBase Compound ID 2lrmRBe9EA0
InChI InChI=1S/C22H21NO5/c1-4-28-22(26)18-13-20(15-9-11-16(27-3)12-10-15)23(14(18)2)19-8-6-5-7-17(19)21(24)25/h5-13H,4H2,1-3H3,(H,24,25)
InChIKey PVYYUWYQHDFBEA-UHFFFAOYSA-N
Mol Weight 379.41 g/mol
Molecular Formula C22H21NO5
Exact Mass 379.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Gtg1IY1CLZ
Name 2-[3-(Ethoxycarbonyl)-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-1-yl]benzoic acid
CAS Registry Number 83491-00-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21NO5
InChI InChI=1S/C22H21NO5/c1-4-28-22(26)18-13-20(15-9-11-16(27-3)12-10-15)23(14(18)2)19-8-6-5-7-17(19)21(24)25/h5-13H,4H2,1-3H3,(H,24,25)
InChIKey PVYYUWYQHDFBEA-UHFFFAOYSA-N
Molecular Weight 379.412 g/mol
SMILES OC(c1ccccc1-[n]1c(C)c(cc1-c1ccc(cc1)OC)C(=O)OCC)=O
SPLASH splash10-0ugi-0019000000-08f6e50f93b95bdf0115
Source of Spectrum O-24-271-1
Synonyms 1-(2-Carboxyphenyl)-2-methyl-3-ethoxycarbonyl-5-(4-methoxyphenyl)-pyrrole 2-[3-carbethoxy-5-(4-methoxyphenyl)-2-methyl-pyrrol-1-yl]benzoic acid 2-[3-ethoxycarbonyl-5-(4-methoxyphenyl)-2-methyl-1-pyrrolyl]benzoic acid 2-[3-ethoxycarbonyl-5-(4-methoxyphenyl)-2-methyl-pyrrol-1-yl]benzoic acid
Wiley ID 1359311