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1H-Pyrrole-3-propanoic acid, 2,2'-methylenebis[5-(ethoxycarbonyl)-,diethyl ester
SpectraBase Compound ID BuZhK1zJIlk
InChI InChI=1S/C25H34N2O8/c1-5-32-22(28)11-9-16-13-20(24(30)34-7-3)26-18(16)15-19-17(10-12-23(29)33-6-2)14-21(27-19)25(31)35-8-4/h13-14,26-27H,5-12,15H2,1-4H3
InChIKey YXWGCGULFZCQOY-UHFFFAOYSA-N
Mol Weight 490.6 g/mol
Molecular Formula C25H34N2O8
Exact Mass 490.231516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6hTN6chF3n7
Name 1H-Pyrrole-3-propanoic acid, 2,2'-methylenebis[5-(ethoxycarbonyl)-,diethyl ester
CAS Registry Number 78986-46-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H34N2O8
InChI InChI=1S/C25H34N2O8/c1-5-32-22(28)11-9-16-13-20(24(30)34-7-3)26-18(16)15-19-17(10-12-23(29)33-6-2)14-21(27-19)25(31)35-8-4/h13-14,26-27H,5-12,15H2,1-4H3
InChIKey YXWGCGULFZCQOY-UHFFFAOYSA-N
Molecular Weight 490.553 g/mol
SMILES [nH]1c(Cc2c(cc([nH]2)C(=O)OCC)CCC(=O)OCC)c(cc1C(=O)OCC)CCC(=O)OCC
SPLASH splash10-0f6x-0150900000-c6ee0f12dc66a9e51799
Source of Spectrum J-46-4611-0
Synonyms Ethyl 5-{[5-(ethoxycarbonyl)-3-(3-ethoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl}-4-(3-ethoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate [5,5'-bis(ethoxycarbonyl)-3,3'-bis[2-(ethoxycarbonyl)ethyl]-2,2'-dipyrryl]methane
Wiley ID 1397209