| SpectraBase Compound ID | 8skJLBDfepY |
|---|---|
| InChI | InChI=1S/C7H8O3/c8-6-3-1-2-5(6)4-7(9)10/h2H,1,3-4H2,(H,9,10) |
| InChIKey | MKNKVMNKOJBKPM-UHFFFAOYSA-N |
| Mol Weight | 140.14 g/mol |
| Molecular Formula | C7H8O3 |
| Exact Mass | 140.047344 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AVz7k66gxid |
|---|---|
| Name | 1-Cyclopenteneacetic acid, 5-oxo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.047344115 u |
| Formula | C7H8O3 |
| InChI | InChI=1S/C7H8O3/c8-6-3-1-2-5(6)4-7(9)10/h2H,1,3-4H2,(H,9,10) |
| InChIKey | MKNKVMNKOJBKPM-UHFFFAOYSA-N |
| Molecular Weight | 140.138 g/mol |
| SMILES | C1CC(=O)C(=C1)CC(O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.885743 |