| SpectraBase Spectrum ID |
IVI3uHZsgz1 |
| Name |
Pyrrolo[3,4-C]pyrrole-1,3(2H,3ah)-dione, 4,6A-dihydro-2-(4-nitrophenyl)-4,6-diphenyl-, (3A.alpha.,4.alpha.,6A.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
411.121906035 u |
| Formula |
C24H17N3O4 |
| InChI |
InChI=1S/C24H17N3O4/c28-23-19-20(24(29)26(23)17-11-13-18(14-12-17)27(30)31)22(16-9-5-2-6-10-16)25-21(19)15-7-3-1-4-8-15/h1-14,19-21H/t19-,20+,21+/m1/s1 |
| InChIKey |
AUEYUVBKWKXXCD-HKBOAZHASA-N |
| Molecular Weight |
411.417 g/mol |
| SMILES |
[C@@]12([C@@](C(=O)N(C2=O)C2=CC=C(N(=O)=O)C=C2)([C@](C2=CC=CC=C2)(N=C1C=1C=CC=CC1)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909084 |
![Pyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione, 4,6a-dihydro-2-(4-nitrophenyl)-4,6-diphenyl-, (3a.alpha.,4.alpha.,6a.alpha.)-](/api/spectrum/IVI3uHZsgz1/structure.png?h=300&w=458 "Pyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione, 4,6a-dihydro-2-(4-nitrophenyl)-4,6-diphenyl-, (3a.alpha.,4.alpha.,6a.alpha.)-")
