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1H-Pyrrole-3-propanoic acid, 5-[[4-(3-methoxy-3-oxopropyl)-3-methyl-5-[(phenylmethoxy)carbonyl]-1H-pyrrol-2-yl]methyl]-4-methyl-2-[(phenylmethoxy)carbonyl]-, phenylmethyl ester
SpectraBase Compound ID FOkNNzuqoE4
InChI InChI=1S/C41H42N2O8/c1-27-32(19-21-36(44)48-3)38(40(46)50-25-30-15-9-5-10-16-30)42-34(27)23-35-28(2)33(20-22-37(45)49-24-29-13-7-4-8-14-29)39(43-35)41(47)51-26-31-17-11-6-12-18-31/h4-18,42-43H,19-26H2,1-3H3
InChIKey IYSAIOYVTPAPMI-UHFFFAOYSA-N
Mol Weight 690.8 g/mol
Molecular Formula C41H42N2O8
Exact Mass 690.294116 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19YfTuBrWaP
Name 1H-Pyrrole-3-propanoic acid, 5-[[4-(3-methoxy-3-oxopropyl)-3-methyl-5-[(phenylmethoxy)carbonyl]-1H-pyrrol-2-yl]methyl]-4-methyl-2-[(phenylmethoxy)carbonyl]-, phenylmethyl ester
CAS Registry Number 99602-77-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H42N2O8
InChI InChI=1S/C41H42N2O8/c1-27-32(19-21-36(44)48-3)38(40(46)50-25-30-15-9-5-10-16-30)42-34(27)23-35-28(2)33(20-22-37(45)49-24-29-13-7-4-8-14-29)39(43-35)41(47)51-26-31-17-11-6-12-18-31/h4-18,42-43H,19-26H2,1-3H3
InChIKey IYSAIOYVTPAPMI-UHFFFAOYSA-N
Molecular Weight 690.793 g/mol
SMILES [nH]1c(c(c(c1Cc1c(c(c([nH]1)C(OCc1ccccc1)=O)CCC(=O)OC)C)C)CCC(=O)OCc1ccccc1)C(OCc1ccccc1)=O
SPLASH splash10-0002-0000091000-0be5c3e188d48773cc84
Source of Spectrum KC-1985-1706-0
Synonyms benzyl 5-{[5-[(benzyloxy)carbonyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrol-2-yl]methyl}-3-[3-(benzyloxy)-3-oxopropyl]-4-methyl-1H-pyrrole-2-carboxylate Dibenzyl 3-(2-benzyloxycarbonylethyl)-4'-(2-methoxycarbonylethyl)-3',4-dimethyl-2,2'-methylenedipyrrole-5,5'-decarboxylate
Wiley ID 1414680