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1H-Pyrrole-3-propanoic acid, 2,2'-methylenebis[4-(2-methoxy-2-oxoethyl)-5-[(phenylmethoxy)carbonyl]-, dimethyl ester
SpectraBase Compound ID 5HDnHpBgkoF
InChI InChI=1S/C39H42N2O12/c1-48-32(42)17-15-26-28(19-34(44)50-3)36(38(46)52-22-24-11-7-5-8-12-24)40-30(26)21-31-27(16-18-33(43)49-2)29(20-35(45)51-4)37(41-31)39(47)53-23-25-13-9-6-10-14-25/h5-14,40-41H,15-23H2,1-4H3
InChIKey QLECCAFUKLLPLB-UHFFFAOYSA-N
Mol Weight 730.8 g/mol
Molecular Formula C39H42N2O12
Exact Mass 730.273775 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K60A8oNU3Hr
Name 1H-Pyrrole-3-propanoic acid, 2,2'-methylenebis[4-(2-methoxy-2-oxoethyl)-5-[(phenylmethoxy)carbonyl]-, dimethyl ester
CAS Registry Number 55305-18-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H42N2O12
InChI InChI=1S/C39H42N2O12/c1-48-32(42)17-15-26-28(19-34(44)50-3)36(38(46)52-22-24-11-7-5-8-12-24)40-30(26)21-31-27(16-18-33(43)49-2)29(20-35(45)51-4)37(41-31)39(47)53-23-25-13-9-6-10-14-25/h5-14,40-41H,15-23H2,1-4H3
InChIKey QLECCAFUKLLPLB-UHFFFAOYSA-N
Molecular Weight 730.767 g/mol
SMILES [nH]1c(Cc2c(c(c([nH]2)C(OCc2ccccc2)=O)CC(=O)OC)CCC(=O)OC)c(c(c1C(OCc1ccccc1)=O)CC(=O)OC)CCC(=O)OC
SPLASH splash10-000i-0001039200-ec4d96917b01ecf146d9
Source of Spectrum KC-1976-286-0
Synonyms benzyl 5-{[5-[(benzyloxy)carbonyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl}-3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate Dibenzyl 4,4'-bis-(2-methoxycarbonylethyl)-3,3'-bismethoxycarbonylmethyl-2,2'-methylenedipyrrole-5,5'-dicarboxylate
Wiley ID 1415911