| SpectraBase Compound ID | LqJovnvOfxY |
|---|---|
| InChI | InChI=1S/C4H5ClO2/c1-2-4(6)7-3-5/h2H,1,3H2 |
| InChIKey | KMKLIOQYUUPLMA-UHFFFAOYSA-N |
| Mol Weight | 120.53 g/mol |
| Molecular Formula | C4H5ClO2 |
| Exact Mass | 119.997807 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BLVQHR73efv |
|---|---|
| Name | 2-Propenoic acid, chloromethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 119.997807099 u |
| Formula | C4H5ClO2 |
| InChI | InChI=1S/C4H5ClO2/c1-2-4(6)7-3-5/h2H,1,3H2 |
| InChIKey | KMKLIOQYUUPLMA-UHFFFAOYSA-N |
| Molecular Weight | 120.535 g/mol |
| SMILES | C=CC(OCCl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.851259 |