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Pyrrolo[3,4-c]pyrrole-3a(1H)-carboxylic acid, hexahydro-6a-[[(4-methylphenyl)amino]carbonyl]-1,4-dioxo-2,5-bis(phenylmethyl)-

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Pyrrolo[3,4-c]pyrrole-3a(1H)-carboxylic acid, hexahydro-6a-[[(4-methylphenyl)amino]carbonyl]-1,4-dioxo-2,5-bis(phenylmethyl)-
SpectraBase Compound ID AeA9D5wp3cM
InChI InChI=1S/C29H27N3O5/c1-20-12-14-23(15-13-20)30-24(33)28-18-31(16-21-8-4-2-5-9-21)26(35)29(28,27(36)37)19-32(25(28)34)17-22-10-6-3-7-11-22/h2-15H,16-19H2,1H3,(H,30,33)(H,36,37)
InChIKey MWYSMZKSZZLNPP-UHFFFAOYSA-N
Mol Weight 497.55 g/mol
Molecular Formula C29H27N3O5
Exact Mass 497.195071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JdCbMpLOxED
Name Pyrrolo[3,4-c]pyrrole-3a(1H)-carboxylic acid, hexahydro-6a-[[(4-methylphenyl)amino]carbonyl]-1,4-dioxo-2,5-bis(phenylmethyl)-
Alternate Name(s) 2,5-Dibenzyl-1,4-dioxo-6a-(4-toluidinocarbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxylic acid 2,5-Dibenzyl-6a-[N-(p-tolyl)carbamoyl]-1,4-dioxo-octahydropyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CAS Registry Number 99121-72-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H27N3O5
InChI InChI=1S/C29H27N3O5/c1-20-12-14-23(15-13-20)30-24(33)28-18-31(16-21-8-4-2-5-9-21)26(35)29(28,27(36)37)19-32(25(28)34)17-22-10-6-3-7-11-22/h2-15H,16-19H2,1H3,(H,30,33)(H,36,37)
InChIKey MWYSMZKSZZLNPP-UHFFFAOYSA-N
Molecular Weight 497.551 g/mol
SMILES OC(C12C(C(Nc3ccc(cc3)C)=O)(CN(C1=O)Cc1ccccc1)C(N(C2)Cc1ccccc1)=O)=O
SPLASH splash10-0006-9000400000-c8e4cf248bd8ffe607eb
Source of Spectrum H-68-612-2
Wiley ID 1398425