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1H-Pyrrole-3-propanoic acid, 5,5'-methylenebis[2-carboxy-4-(2-methoxy-2-oxoethyl)-, .alpha.,.alpha.'-dimethyl ester
SpectraBase Compound ID 5Wr46Xpltwd
InChI InChI=1S/C25H30N2O12/c1-36-18(28)7-5-12-14(9-20(30)38-3)16(26-22(12)24(32)33)11-17-15(10-21(31)39-4)13(6-8-19(29)37-2)23(27-17)25(34)35/h26-27H,5-11H2,1-4H3,(H,32,33)(H,34,35)
InChIKey ORXYRQXQISEQHO-UHFFFAOYSA-N
Mol Weight 550.52 g/mol
Molecular Formula C25H30N2O12
Exact Mass 550.179874 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GZBl6cjvrkT
Name 1H-Pyrrole-3-propanoic acid, 5,5'-methylenebis[2-carboxy-4-(2-methoxy-2-oxoethyl)-, .alpha.,.alpha.'-dimethyl ester
Alternate Name(s) 4,4'-bis-(2-methoxycarbonylethyl)-3,3'-bismethoxycarbonylmethyl-2,2'-methylenedipyrrole-5,5'-dicarboxylic acid 5-{[5-carboxy-3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl}-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylic acid
CAS Registry Number 58950-41-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H30N2O12
InChI InChI=1S/C25H30N2O12/c1-36-18(28)7-5-12-14(9-20(30)38-3)16(26-22(12)24(32)33)11-17-15(10-21(31)39-4)13(6-8-19(29)37-2)23(27-17)25(34)35/h26-27H,5-11H2,1-4H3,(H,32,33)(H,34,35)
InChIKey ORXYRQXQISEQHO-UHFFFAOYSA-N
Molecular Weight 550.517 g/mol
SMILES [nH]1c(Cc2c(c(c(C(=O)O)[nH]2)CCC(=O)OC)CC(=O)OC)c(c(CCC(=O)OC)c1C(=O)O)CC(=O)OC
SPLASH splash10-01p9-1459800000-074af401cbb40c78e8ba
Source of Spectrum KC-1976-286-0
Wiley ID 1405656