| SpectraBase Compound ID | JeSFZOxjWVG |
|---|---|
| InChI | InChI=1S/C10H9ClO4/c1-7(12)14-6-10(13)15-9-4-2-8(11)3-5-9/h2-5H,6H2,1H3 |
| InChIKey | XDEZQKYHBPNTOE-UHFFFAOYSA-N |
| Mol Weight | 228.63 g/mol |
| Molecular Formula | C10H9ClO4 |
| Exact Mass | 228.018936 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8jMfQTvc9c |
|---|---|
| Name | Acetoxyacetic acid, 4-chlorophenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.018936466 u |
| Formula | C10H9ClO4 |
| InChI | InChI=1S/C10H9ClO4/c1-7(12)14-6-10(13)15-9-4-2-8(11)3-5-9/h2-5H,6H2,1H3 |
| InChIKey | XDEZQKYHBPNTOE-UHFFFAOYSA-N |
| Molecular Weight | 228.631 g/mol |
| SMILES | CC(OCC(OC1=CC=C(C=C1)Cl)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981636 |