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Tetraethyl 3,3'-(1,3-phenylene)bis(pyrrole-2,4-dicarboxylate)
SpectraBase Compound ID 2jJFTsB7k0S
InChI InChI=1S/C26H28N2O8/c1-5-33-23(29)17-13-27-21(25(31)35-7-3)19(17)15-10-9-11-16(12-15)20-18(24(30)34-6-2)14-28-22(20)26(32)36-8-4/h9-14,27-28H,5-8H2,1-4H3
InChIKey LDBCJIBTKXPBNB-UHFFFAOYSA-N
Mol Weight 496.52 g/mol
Molecular Formula C26H28N2O8
Exact Mass 496.184566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4rgEywzJGwO
Name Tetraethyl 3,3'-(1,3-phenylene)bis(pyrrole-2,4-dicarboxylate)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28N2O8
InChI InChI=1S/C26H28N2O8/c1-5-33-23(29)17-13-27-21(25(31)35-7-3)19(17)15-10-9-11-16(12-15)20-18(24(30)34-6-2)14-28-22(20)26(32)36-8-4/h9-14,27-28H,5-8H2,1-4H3
InChIKey LDBCJIBTKXPBNB-UHFFFAOYSA-N
Molecular Weight 496.516 g/mol
SMILES [nH]1c(c(-c2cc(-c3c([nH]cc3C(=O)OCC)C(=O)OCC)ccc2)c(c1)C(=O)OCC)C(=O)OCC
SPLASH splash10-000t-0000900000-c0defff4b9ab72dc1285
Source of Spectrum SO-0-400-2
Synonyms Diethyl 3-{3-[2,4-bis(ethoxycarbonyl)-1H-pyrrol-3-yl]phenyl}-1H-pyrrole-2,4-dicarboxylate
Wiley ID 864279