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5-[5-(3,5-dicarbethoxy-4-methyl-1H-pyrrol-2-yl)-2-thienyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester
SpectraBase Compound ID LeRvnPg4MUQ
InChI InChI=1S/C26H30N2O8S/c1-7-33-23(29)17-13(5)19(25(31)35-9-3)27-21(17)15-11-12-16(37-15)22-18(24(30)34-8-2)14(6)20(28-22)26(32)36-10-4/h11-12,27-28H,7-10H2,1-6H3
InChIKey DSWPCPUIJMMKAM-UHFFFAOYSA-N
Mol Weight 530.59 g/mol
Molecular Formula C26H30N2O8S
Exact Mass 530.172287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L6nix4W4Uec
Name 5-[5-(3,5-dicarbethoxy-4-methyl-1H-pyrrol-2-yl)-2-thienyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester
CAS Registry Number 125902-07-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30N2O8S
InChI InChI=1S/C26H30N2O8S/c1-7-33-23(29)17-13(5)19(25(31)35-9-3)27-21(17)15-11-12-16(37-15)22-18(24(30)34-8-2)14(6)20(28-22)26(32)36-10-4/h11-12,27-28H,7-10H2,1-6H3
InChIKey DSWPCPUIJMMKAM-UHFFFAOYSA-N
Molecular Weight 530.592 g/mol
SMILES [nH]1c(c(c(c1-c1sc(-c2c(c(c([nH]2)C(=O)OCC)C)C(=O)OCC)cc1)C(=O)OCC)C)C(=O)OCC
SPLASH splash10-001r-0000930000-3a77b89d0bf77c94a402
Source of Spectrum J-55-2907-12
Synonyms 5-[5-[3,5-bis(ethoxycarbonyl)-4-methyl-1H-pyrrol-2-yl]-2-thiophenyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Diethyl 5-[5-[3,5-bis(ethoxycarbonyl)-4-methyl-1H-pyrrol-2-yl]thiophen-2-yl]-3-methyl-1H-pyrrole-2,4-dicarboxylate
Wiley ID 1403302