| SpectraBase Compound ID | DQcSjC45dRe |
|---|---|
| InChI | InChI=1S/C5H4O3/c6-3-1-4(7)5(8)2-3/h1-2H2 |
| InChIKey | PLIKDTHMOISVIW-UHFFFAOYSA-N |
| Mol Weight | 112.08 g/mol |
| Molecular Formula | C5H4O3 |
| Exact Mass | 112.016044 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KEQy80aIqYL |
|---|---|
| Name | 1,2,4-Cyclopentanetrione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 112.016043986 u |
| Formula | C5H4O3 |
| InChI | InChI=1S/C5H4O3/c6-3-1-4(7)5(8)2-3/h1-2H2 |
| InChIKey | PLIKDTHMOISVIW-UHFFFAOYSA-N |
| Molecular Weight | 112.084 g/mol |
| SMILES | C1(=O)C(=O)CC(C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949253 |