For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Pyrrolo[3,4-c]pyrrole-3a(1H)-carboxylic acid, hexahydro-1,4-dioxo-2,5-bis(phenylmethyl)-6a-[[(phenylmethyl)amino]carbonyl]-
SpectraBase Compound ID DjG00JHuEOW
InChI InChI=1S/C29H27N3O5/c33-24(30-16-21-10-4-1-5-11-21)28-19-31(17-22-12-6-2-7-13-22)26(35)29(28,27(36)37)20-32(25(28)34)18-23-14-8-3-9-15-23/h1-15H,16-20H2,(H,30,33)(H,36,37)
InChIKey KTFZWSWKANAHFM-UHFFFAOYSA-N
Mol Weight 497.55 g/mol
Molecular Formula C29H27N3O5
Exact Mass 497.195071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5R95I8Zr9b4
Name Pyrrolo[3,4-c]pyrrole-3a(1H)-carboxylic acid, hexahydro-1,4-dioxo-2,5-bis(phenylmethyl)-6a-[[(phenylmethyl)amino]carbonyl]-
CAS Registry Number 99121-69-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H27N3O5
InChI InChI=1S/C29H27N3O5/c33-24(30-16-21-10-4-1-5-11-21)28-19-31(17-22-12-6-2-7-13-22)26(35)29(28,27(36)37)20-32(25(28)34)18-23-14-8-3-9-15-23/h1-15H,16-20H2,(H,30,33)(H,36,37)
InChIKey KTFZWSWKANAHFM-UHFFFAOYSA-N
Molecular Weight 497.551 g/mol
SMILES OC(C12C(C(NCc3ccccc3)=O)(CN(C1=O)Cc1ccccc1)C(N(C2)Cc1ccccc1)=O)=O
SPLASH splash10-006x-9034000000-ba7602e318a7645b3a3b
Source of Spectrum H-68-612-2
Synonyms 2,5-Dibenzyl-6a-(N-benzylcarbamoyl)-1,4-dioxo-octahydropyrrolo[3,4-c]pyrrole-3a-carboxylic acid 2,5-Dibenzyl-6a-[(benzylamino)carbonyl]-1,4-dioxohexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxylic acid
Wiley ID 1398426