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1H-Pyrrole-3-propanoic acid, 2,2'-(1,3-dioxo-1,3-propanediyl)bis[4-(2-methoxy-2-oxoethyl)-5-methyl-, dimethyl ester
SpectraBase Compound ID 4aOSQHbOGXm
InChI InChI=1S/C27H34N2O10/c1-14-18(11-24(34)38-5)16(7-9-22(32)36-3)26(28-14)20(30)13-21(31)27-17(8-10-23(33)37-4)19(15(2)29-27)12-25(35)39-6/h28-29H,7-13H2,1-6H3
InChIKey ILZUJGFDJOIBJZ-UHFFFAOYSA-N
Mol Weight 546.6 g/mol
Molecular Formula C27H34N2O10
Exact Mass 546.221345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9B0dVGRqJkv
Name 1H-Pyrrole-3-propanoic acid, 2,2'-(1,3-dioxo-1,3-propanediyl)bis[4-(2-methoxy-2-oxoethyl)-5-methyl-, dimethyl ester
CAS Registry Number 116743-78-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H34N2O10
InChI InChI=1S/C27H34N2O10/c1-14-18(11-24(34)38-5)16(7-9-22(32)36-3)26(28-14)20(30)13-21(31)27-17(8-10-23(33)37-4)19(15(2)29-27)12-25(35)39-6/h28-29H,7-13H2,1-6H3
InChIKey ILZUJGFDJOIBJZ-UHFFFAOYSA-N
Molecular Weight 546.573 g/mol
SMILES [nH]1c(c(c(c1C(CC(c1c(c(CC(=O)OC)c([nH]1)C)CCC(=O)OC)=O)=O)CCC(=O)OC)CC(=O)OC)C
SPLASH splash10-05b0-0994420000-b7f2722c59164b366504
Source of Spectrum KC-1988-1193-12
Synonyms 1,3-bis]3-(2-methoxycarbonylethyl)-4-methoxycarbonylmethyl-5-methylpyrrol-2-yl]propane-1,3-dione Methyl 3-(4-(2-methoxy-2-oxoethyl)-2-{3-[4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrol-2-yl]-3-oxopropanoyl}-5-methyl-1H-pyrrol-3-yl)propanoate
Wiley ID 1405228