| SpectraBase Compound ID | Iw7uKag596p |
|---|---|
| InChI | InChI=1S/C7H9ClO4/c1-6(9)12-5-7(10)11-4-2-3-8/h2-3H,4-5H2,1H3/b3-2+ |
| InChIKey | MATWRJSMXKVOPA-NSCUHMNNSA-N |
| Mol Weight | 192.6 g/mol |
| Molecular Formula | C7H9ClO4 |
| Exact Mass | 192.018936 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H9Ompn7IU4 |
|---|---|
| Name | Acetoxyacetic acid, 3-chloroprop-2-enyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.018936466 u |
| Formula | C7H9ClO4 |
| InChI | InChI=1S/C7H9ClO4/c1-6(9)12-5-7(10)11-4-2-3-8/h2-3H,4-5H2,1H3/b3-2+ |
| InChIKey | MATWRJSMXKVOPA-NSCUHMNNSA-N |
| Molecular Weight | 192.598 g/mol |
| SMILES | CC(OCC(=O)OC\C=C\Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980027 |