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Pyrrolo[3,4-c]pyrrole-3a(1H)-carboxylic acid, hexahydro-1,4-dioxo-6a-[(phenylamino)carbonyl]-2,5-bis(phenylmethyl)-
SpectraBase Compound ID DPVW8aTD9f7
InChI InChI=1S/C28H25N3O5/c32-23(29-22-14-8-3-9-15-22)27-18-30(16-20-10-4-1-5-11-20)25(34)28(27,26(35)36)19-31(24(27)33)17-21-12-6-2-7-13-21/h1-15H,16-19H2,(H,29,32)(H,35,36)
InChIKey KIKUZIKNBGWJOE-UHFFFAOYSA-N
Mol Weight 483.52 g/mol
Molecular Formula C28H25N3O5
Exact Mass 483.179421 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GLsjWWjv7i3
Name Pyrrolo[3,4-c]pyrrole-3a(1H)-carboxylic acid, hexahydro-1,4-dioxo-6a-[(phenylamino)carbonyl]-2,5-bis(phenylmethyl)-
CAS Registry Number 99242-42-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H25N3O5
InChI InChI=1S/C28H25N3O5/c32-23(29-22-14-8-3-9-15-22)27-18-30(16-20-10-4-1-5-11-20)25(34)28(27,26(35)36)19-31(24(27)33)17-21-12-6-2-7-13-21/h1-15H,16-19H2,(H,29,32)(H,35,36)
InChIKey KIKUZIKNBGWJOE-UHFFFAOYSA-N
Molecular Weight 483.524 g/mol
SMILES OC(C12C(C(Nc3ccccc3)=O)(CN(C1=O)Cc1ccccc1)C(N(C2)Cc1ccccc1)=O)=O
SPLASH splash10-014r-0000900000-7527261009ef08ae5b2f
Source of Spectrum H-68-612-2
Synonyms 2,5-Dibenzyl-6a-(n-phenylcarbamoyl)-1,4-dioxo-octahydropyrrolo[3,4-c]pyrrole-3a-carboxylic acid 6a-(anilinocarbonyl)-2,5-dibenzyl-1,4-dioxohexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxylic acid
Wiley ID 1395850