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5-[4-(3,5-dicarbethoxy-4-methyl-1H-pyrrol-2-yl)-4-keto-butanoyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester
SpectraBase Compound ID GItbWzRefwf
InChI InChI=1S/C26H32N2O10/c1-7-35-23(31)17-13(5)19(25(33)37-9-3)27-21(17)15(29)11-12-16(30)22-18(24(32)36-8-2)14(6)20(28-22)26(34)38-10-4/h27-28H,7-12H2,1-6H3
InChIKey OEGWXTGGOBTXPN-UHFFFAOYSA-N
Mol Weight 532.5 g/mol
Molecular Formula C26H32N2O10
Exact Mass 532.205695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EXHtMXwReEX
Name 5-[4-(3,5-dicarbethoxy-4-methyl-1H-pyrrol-2-yl)-4-keto-butanoyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester
Alternate Name(s) 5-[4-[3,5-bis(ethoxycarbonyl)-4-methyl-1H-pyrrol-2-yl]-1,4-dioxobutyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Diethyl 5-[4-[3,5-bis(ethoxycarbonyl)-4-methyl-1H-pyrrol-2-yl]-4-oxidanylidene-butanoyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Diethyl 5-[4-[3,5-bis(ethoxycarbonyl)-4-methyl-1H-pyrrol-2-yl]-4-oxo-butanoyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate
CAS Registry Number 125902-06-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H32N2O10
InChI InChI=1S/C26H32N2O10/c1-7-35-23(31)17-13(5)19(25(33)37-9-3)27-21(17)15(29)11-12-16(30)22-18(24(32)36-8-2)14(6)20(28-22)26(34)38-10-4/h27-28H,7-12H2,1-6H3
InChIKey OEGWXTGGOBTXPN-UHFFFAOYSA-N
Molecular Weight 532.546 g/mol
SMILES [nH]1c(c(c(c1C(CCC(c1c(c(c([nH]1)C(=O)OCC)C)C(=O)OCC)=O)=O)C(=O)OCC)C)C(=O)OCC
SPLASH splash10-0kd0-0490000000-3cba69432d2b68ea61e2
Source of Spectrum J-55-2907-10
Wiley ID 1403564