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1H-Pyrrole-3-propanoic acid, 2,2'-methylenebis[4-methyl-5-[(phenylmethoxy)carbonyl]-, dimethyl ester

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1H-Pyrrole-3-propanoic acid, 2,2'-methylenebis[4-methyl-5-[(phenylmethoxy)carbonyl]-, dimethyl ester
SpectraBase Compound ID FKiVCYWylIk
InChI InChI=1S/C35H38N2O8/c1-22-26(15-17-30(38)42-3)28(36-32(22)34(40)44-20-24-11-7-5-8-12-24)19-29-27(16-18-31(39)43-4)23(2)33(37-29)35(41)45-21-25-13-9-6-10-14-25/h5-14,36-37H,15-21H2,1-4H3
InChIKey PDNCFOWIBROHJO-UHFFFAOYSA-N
Mol Weight 614.7 g/mol
Molecular Formula C35H38N2O8
Exact Mass 614.262816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CWwj6PoZ1Vt
Name 1H-Pyrrole-3-propanoic acid, 2,2'-methylenebis[4-methyl-5-[(phenylmethoxy)carbonyl]-, dimethyl ester
Alternate Name(s) Pyrrole-3-propionic acid, 2,2'-methylenebis[5-carboxy-4-methyl-, 5,5'-dibenzyl 3,3'-dimethyl ester (phenylmethyl) 4-(3-methoxy-3-oxidanylidene-propyl)-5-[[3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylate 4-(3-Methoxy-3-oxopropyl)-5-[[3-(3-methoxy-3-oxopropyl)-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester 5-[[5-carbobenzoxy-3-(3-keto-3-methoxy-propyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-(3-keto-3-methoxy-propyl)-3-methyl-1H-pyrrole-2-carboxylic acid benzyl ester benzyl 4-(3-methoxy-3-oxopropyl)-5-[[3-(3-methoxy-3-oxopropyl)-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylate benzyl 5-{[5-[(benzyloxy)carbonyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl}-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylate Dibenzyl 3,3'-bis-(2-methoxycarbonylethyl)-4,4'-dimethyl-2,2'-methylenedipyrrole-5,5'-dicarboxylate acetoxymethylpyrrole
CAS Registry Number 992-36-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H38N2O8
InChI InChI=1S/C35H38N2O8/c1-22-26(15-17-30(38)42-3)28(36-32(22)34(40)44-20-24-11-7-5-8-12-24)19-29-27(16-18-31(39)43-4)23(2)33(37-29)35(41)45-21-25-13-9-6-10-14-25/h5-14,36-37H,15-21H2,1-4H3
InChIKey PDNCFOWIBROHJO-UHFFFAOYSA-N
Molecular Weight 614.695 g/mol
SMILES [nH]1c(c(c(c1Cc1c(c(c([nH]1)C(OCc1ccccc1)=O)C)CCC(=O)OC)CCC(=O)OC)C)C(OCc1ccccc1)=O
SPLASH splash10-0006-9000031000-05d545b45bc1a66eb01c
Source of Spectrum KC-1985-1705-28
Wiley ID 1411207