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1H-Pyrrole-3-propanoic acid, 4-(2-methoxy-2-oxoethyl)-2-[[3-(3-methoxy-3-oxoethyl)-4-(3-methoxy-3- oxopropyl)-1H-pyrrol-2-yl]methyl]-5-[(phenylmethoxy)carbonyl]-, methyl ester
SpectraBase Compound ID C3n13u2pZBo
InChI InChI=1S/C31H36N2O10/c1-39-26(34)12-10-20-17-32-24(22(20)14-28(36)41-3)16-25-21(11-13-27(35)40-2)23(15-29(37)42-4)30(33-25)31(38)43-18-19-8-6-5-7-9-19/h5-9,17,32-33H,10-16,18H2,1-4H3
InChIKey JLQCWJXGYRHJFT-UHFFFAOYSA-N
Mol Weight 596.6 g/mol
Molecular Formula C31H36N2O10
Exact Mass 596.236995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HbzcgoT85T
Name 1H-Pyrrole-3-propanoic acid, 4-(2-methoxy-2-oxoethyl)-2-[[3-(3-methoxy-3-oxoethyl)-4-(3-methoxy-3- oxopropyl)-1H-pyrrol-2-yl]methyl]-5-[(phenylmethoxy)carbonyl]-, methyl ester
CAS Registry Number 58950-48-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H36N2O10
InChI InChI=1S/C31H36N2O10/c1-39-26(34)12-10-20-17-32-24(22(20)14-28(36)41-3)16-25-21(11-13-27(35)40-2)23(15-29(37)42-4)30(33-25)31(38)43-18-19-8-6-5-7-9-19/h5-9,17,32-33H,10-16,18H2,1-4H3
InChIKey JLQCWJXGYRHJFT-UHFFFAOYSA-N
Molecular Weight 596.633 g/mol
SMILES [nH]1c(Cc2c(c(CCC(=O)OC)c[nH]2)CC(=O)OC)c(c(c1C(OCc1ccccc1)=O)CC(=O)OC)CCC(=O)OC
SPLASH splash10-052f-7010190000-9c9b7879f6deff2b6ba1
Source of Spectrum KC-1976-289-0
Synonyms Benzyl 3,4'-bis-(2-methoxycarbonyl)-3',4-bismethoxycarbonylmethyl-2,2'-methylenedipyrrole-5-carboxylate benzyl 3-(2-methoxy-2-oxoethyl)-5-{[3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl}-4-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate
Wiley ID 1409812