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[2,2'-Bi-1H-pyrrole]-3,4',5-tricarboxylic acid, 1',4-dimethyl-5'-phenyl-, triethyl ester
SpectraBase Compound ID ADoWaSRaqI6
InChI InChI=1S/C25H28N2O6/c1-6-31-23(28)17-14-18(27(5)22(17)16-12-10-9-11-13-16)21-19(24(29)32-7-2)15(4)20(26-21)25(30)33-8-3/h9-14,26H,6-8H2,1-5H3
InChIKey HNBZCLKHRDKJRX-UHFFFAOYSA-N
Mol Weight 452.51 g/mol
Molecular Formula C25H28N2O6
Exact Mass 452.194737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IhIkeYZx2Lr
Name [2,2'-Bi-1H-pyrrole]-3,4',5-tricarboxylic acid, 1',4-dimethyl-5'-phenyl-, triethyl ester
CAS Registry Number 124857-31-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28N2O6
InChI InChI=1S/C25H28N2O6/c1-6-31-23(28)17-14-18(27(5)22(17)16-12-10-9-11-13-16)21-19(24(29)32-7-2)15(4)20(26-21)25(30)33-8-3/h9-14,26H,6-8H2,1-5H3
InChIKey HNBZCLKHRDKJRX-UHFFFAOYSA-N
Molecular Weight 452.507 g/mol
SMILES [nH]1c(c(c(c1C(=O)OCC)C)C(=O)OCC)-c1cc(c([n]1C)-c1ccccc1)C(=O)OCC
SPLASH splash10-0zfr-0101900000-ed6c0010145f091ade0f
Source of Spectrum J-55-917-17
Synonyms 2,4-Diethyl 5-[4-(ethoxycarbonyl)-1-methyl-5-phenyl-1H-pyrrol-2-yl]-3-methyl-1H-pyrrole-2,4-dicarboxylate 3,5-bis(ethoxycarbonyl)-4-methyl-2-[4-(ethoxycarbonyl)-5-phenyl-1-methylpyrrol-2-yl]pyrrole
Wiley ID 1388269