| SpectraBase Spectrum ID |
92rpIL63kqB |
| Name |
Pyrrolo[3,4-C]pyrrole-1-carboxylic acid, 1,3A,4,5,6,6A-hexahydro-4,6-dioxo-3,5-diphenyl-, ethyl ester, (1.alpha.,3A.beta.,6A.beta.)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.126657064 u |
| Formula |
C21H18N2O4 |
| InChI |
InChI=1S/C21H18N2O4/c1-2-27-21(26)18-16-15(17(22-18)13-9-5-3-6-10-13)19(24)23(20(16)25)14-11-7-4-8-12-14/h3-12,15-16,18H,2H2,1H3 |
| InChIKey |
HBMNTVBYLXXLRE-UHFFFAOYSA-N |
| Molecular Weight |
362.385 g/mol |
| SMILES |
C12C(C(=O)N(C2=O)C2=CC=CC=C2)C(C(=O)OCC)N=C1C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946386 |
![Pyrrolo[3,4-c]pyrrole-1-carboxylic acid, 1,3a,4,5,6,6a-hexahydro-4,6-dioxo-3,5-diphenyl-, ethyl ester, (1.alpha.,3a.beta.,6a.beta.)-(.+-.)-](/api/spectrum/92rpIL63kqB/structure.png?h=300&w=458 "Pyrrolo[3,4-c]pyrrole-1-carboxylic acid, 1,3a,4,5,6,6a-hexahydro-4,6-dioxo-3,5-diphenyl-, ethyl ester, (1.alpha.,3a.beta.,6a.beta.)-(.+-.)-")
