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1H-Pyrrole-3-propanoic acid, 2,2'-methylenebis[5-formyl-4-methyl-, bis(phenylmethyl) ester
SpectraBase Compound ID 5z24QP8aI8Y
InChI InChI=1S/C33H34N2O6/c1-22-26(13-15-32(38)40-20-24-9-5-3-6-10-24)28(34-30(22)18-36)17-29-27(23(2)31(19-37)35-29)14-16-33(39)41-21-25-11-7-4-8-12-25/h3-12,18-19,34-35H,13-17,20-21H2,1-2H3
InChIKey LSGXZKSWPQVNIS-UHFFFAOYSA-N
Mol Weight 554.6 g/mol
Molecular Formula C33H34N2O6
Exact Mass 554.241687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2cIi4mCRIx6
Name 1H-Pyrrole-3-propanoic acid, 2,2'-methylenebis[5-formyl-4-methyl-, bis(phenylmethyl) ester
Alternate Name(s) 5,5'-Diformyl-3,3'-bis(2-benzyloxycarbonylethyl)-4,4'-dimethyl-2,2'-methylenedipyrrole benzyl 3-[2-({3-[3-(benzyloxy)-3-oxopropyl]-5-formyl-4-methyl-1H-pyrrol-2-yl}methyl)-5-formyl-4-methyl-1H-pyrrol-3-yl]propanoate
CAS Registry Number 99602-71-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H34N2O6
InChI InChI=1S/C33H34N2O6/c1-22-26(13-15-32(38)40-20-24-9-5-3-6-10-24)28(34-30(22)18-36)17-29-27(23(2)31(19-37)35-29)14-16-33(39)41-21-25-11-7-4-8-12-25/h3-12,18-19,34-35H,13-17,20-21H2,1-2H3
InChIKey LSGXZKSWPQVNIS-UHFFFAOYSA-N
Molecular Weight 554.643 g/mol
SMILES [nH]1c(c(c(c1Cc1c(c(C)c([nH]1)C=O)CCC(=O)OCc1ccccc1)CCC(=O)OCc1ccccc1)C)C=O
SPLASH splash10-03di-0000930000-0c4f899e4cdbb03bea03
Source of Spectrum KC-1985-1705-10
Wiley ID 1406221