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5-[4-(3,5-dicarbethoxy-4-propyl-1H-pyrrol-2-yl)-4-keto-butanoyl]-3-propyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester
SpectraBase Compound ID 1kOLjV1Mnbt
InChI InChI=1S/C30H40N2O10/c1-7-13-17-21(27(35)39-9-3)25(31-23(17)29(37)41-11-5)19(33)15-16-20(34)26-22(28(36)40-10-4)18(14-8-2)24(32-26)30(38)42-12-6/h31-32H,7-16H2,1-6H3
InChIKey XYXRQAAQUIONIT-UHFFFAOYSA-N
Mol Weight 588.7 g/mol
Molecular Formula C30H40N2O10
Exact Mass 588.268295 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BNt6eJ8VWgb
Name 5-[4-(3,5-dicarbethoxy-4-propyl-1H-pyrrol-2-yl)-4-keto-butanoyl]-3-propyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester
CAS Registry Number 142038-34-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H40N2O10
InChI InChI=1S/C30H40N2O10/c1-7-13-17-21(27(35)39-9-3)25(31-23(17)29(37)41-11-5)19(33)15-16-20(34)26-22(28(36)40-10-4)18(14-8-2)24(32-26)30(38)42-12-6/h31-32H,7-16H2,1-6H3
InChIKey XYXRQAAQUIONIT-UHFFFAOYSA-N
Molecular Weight 588.654 g/mol
SMILES [nH]1c(c(c(c1C(CCC(c1c(c(c([nH]1)C(=O)OCC)CCC)C(=O)OCC)=O)=O)C(=O)OCC)CCC)C(=O)OCC
SPLASH splash10-000i-0000490000-be70ff268ff641d00f70
Source of Spectrum J-57-4416-3
Synonyms 5-[4-[3,5-bis(ethoxycarbonyl)-4-propyl-1H-pyrrol-2-yl]-1,4-dioxobutyl]-3-propyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Diethyl 5-[4-[3,5-bis(ethoxycarbonyl)-4-propyl-1H-pyrrol-2-yl]-4-oxidanylidene-butanoyl]-3-propyl-1H-pyrrole-2,4-dicarboxylate Diethyl 5-[4-[3,5-bis(ethoxycarbonyl)-4-propyl-1H-pyrrol-2-yl]-4-oxo-butanoyl]-3-propyl-1H-pyrrole-2,4-dicarboxylate
Wiley ID 1409167