| SpectraBase Spectrum ID |
AU7cjiVBHFF |
| Name |
4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
217.037507705 u |
| Formula |
C11H7NO4 |
| InChI |
InChI=1S/C11H7NO4/c13-9-5-6-10(14)12(9)8-3-1-7(2-4-8)11(15)16/h1-6H,(H,15,16) |
| InChIKey |
LKUOJDGRNKVVFF-UHFFFAOYSA-N |
| Molecular Weight |
217.180 g/mol |
| SMILES |
C=1(N2C(=O)C=CC2=O)C=CC(=CC1)C(=O)O |
| Spectrum/Structure Validation Score (Raman) |
0.879314 |
