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5-[5-(3,5-dicarbethoxy-4-propyl-1H-pyrrol-2-yl)-2-thienyl]-3-propyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester
SpectraBase Compound ID WbqLbH7To7
InChI InChI=1S/C30H38N2O8S/c1-7-13-17-21(27(33)37-9-3)25(31-23(17)29(35)39-11-5)19-15-16-20(41-19)26-22(28(34)38-10-4)18(14-8-2)24(32-26)30(36)40-12-6/h15-16,31-32H,7-14H2,1-6H3
InChIKey YLZKRVZVFKPNNF-UHFFFAOYSA-N
Mol Weight 586.7 g/mol
Molecular Formula C30H38N2O8S
Exact Mass 586.234887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5kLPCU2JYKm
Name 5-[5-(3,5-dicarbethoxy-4-propyl-1H-pyrrol-2-yl)-2-thienyl]-3-propyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester
CAS Registry Number 142038-35-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H38N2O8S
InChI InChI=1S/C30H38N2O8S/c1-7-13-17-21(27(33)37-9-3)25(31-23(17)29(35)39-11-5)19-15-16-20(41-19)26-22(28(34)38-10-4)18(14-8-2)24(32-26)30(36)40-12-6/h15-16,31-32H,7-14H2,1-6H3
InChIKey YLZKRVZVFKPNNF-UHFFFAOYSA-N
Molecular Weight 586.700 g/mol
SMILES [nH]1c(c(c(c1-c1sc(-c2c(c(c([nH]2)C(=O)OCC)CCC)C(=O)OCC)cc1)C(=O)OCC)CCC)C(=O)OCC
SPLASH splash10-000l-0000190000-ce56cd65cac16094d663
Source of Spectrum J-57-4417-4
Synonyms 5-[5-[3,5-bis(ethoxycarbonyl)-4-propyl-1H-pyrrol-2-yl]-2-thiophenyl]-3-propyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Diethyl 5-[5-[3,5-bis(ethoxycarbonyl)-4-propyl-1H-pyrrol-2-yl]thiophen-2-yl]-3-propyl-1H-pyrrole-2,4-dicarboxylate
Wiley ID 1409013