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Ethyl Ester of 2-[2-(4-Bromophenyl)-5-methyl-1H-pyrrol-1-yl]-3-phenylpropionic Acid
SpectraBase Compound ID 2f0KW6aApbM
InChI InChI=1S/C22H22BrNO2/c1-3-26-22(25)21(15-17-7-5-4-6-8-17)24-16(2)9-14-20(24)18-10-12-19(23)13-11-18/h4-14,21H,3,15H2,1-2H3
InChIKey ZJSOQGZENKTEFP-UHFFFAOYSA-N
Mol Weight 412.33 g/mol
Molecular Formula C22H22BrNO2
Exact Mass 411.083392 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7vJiSFqoftC
Name Ethyl Ester of 2-[2-(4-Bromophenyl)-5-methyl-1H-pyrrol-1-yl]-3-phenylpropionic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22BrNO2
InChI InChI=1S/C22H22BrNO2/c1-3-26-22(25)21(15-17-7-5-4-6-8-17)24-16(2)9-14-20(24)18-10-12-19(23)13-11-18/h4-14,21H,3,15H2,1-2H3
InChIKey ZJSOQGZENKTEFP-UHFFFAOYSA-N
Molecular Weight 412.327 g/mol
SMILES C(C(Cc1ccccc1)[n]1c(ccc1C)-c1ccc(cc1)Br)(=O)OCC
SPLASH splash10-0006-7559500000-f58124cabb0c9477d74e
Source of Spectrum HC-47-192-4i
Synonyms Ethyl 2-(2-(4-bromophenyl)-5-methyl-1H-pyrrol-1-yl)-3-phenylpropanoate 2-[2-(4-bromophenyl)-5-methyl-1-pyrrolyl]-3-phenylpropanoic acid ethyl ester Ethyl 2-[2-(4-bromophenyl)-5-methylpyrrol-1-yl]-3-phenylpropanoate Ethyl 2-[2-(4-bromophenyl)-5-methyl-pyrrol-1-yl]-3-phenyl-propanoate
Wiley ID 1734045