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5-[5-(3,5-dicarbethoxy-4-methyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester
SpectraBase Compound ID BTvtmovs6xg
InChI InChI=1S/C26H31N3O8/c1-7-34-23(30)17-13(5)19(25(32)36-9-3)28-21(17)15-11-12-16(27-15)22-18(24(31)35-8-2)14(6)20(29-22)26(33)37-10-4/h11-12,27-29H,7-10H2,1-6H3
InChIKey PCZFUSRCSGQVOI-UHFFFAOYSA-N
Mol Weight 513.55 g/mol
Molecular Formula C26H31N3O8
Exact Mass 513.211115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3bo3ea5QFaj
Name 5-[5-(3,5-dicarbethoxy-4-methyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester
CAS Registry Number 125926-48-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H31N3O8
InChI InChI=1S/C26H31N3O8/c1-7-34-23(30)17-13(5)19(25(32)36-9-3)28-21(17)15-11-12-16(27-15)22-18(24(31)35-8-2)14(6)20(29-22)26(33)37-10-4/h11-12,27-29H,7-10H2,1-6H3
InChIKey PCZFUSRCSGQVOI-UHFFFAOYSA-N
Molecular Weight 513.547 g/mol
SMILES [nH]1c(c(c(c1-c1ccc(-c2c(c(c([nH]2)C(=O)OCC)C)C(=O)OCC)[nH]1)C(=O)OCC)C)C(=O)OCC
SPLASH splash10-02mi-0110940000-d3292504940724a96feb
Source of Spectrum J-55-2907-11
Synonyms 5-[5-[3,5-bis(ethoxycarbonyl)-4-methyl-1H-pyrrol-2-yl]-1H-pyrrol-2-yl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Diethyl 5-[5-[3,5-bis(ethoxycarbonyl)-4-methyl-1H-pyrrol-2-yl]-1H-pyrrol-2-yl]-3-methyl-1H-pyrrole-2,4-dicarboxylate
Wiley ID 1400966