| SpectraBase Compound ID | LEB1hCVsnwm |
|---|---|
| InChI | InChI=1S/C5H5ClO3/c1-9-5(8)3-2-4(6)7/h2-3H,1H3/b3-2+ |
| InChIKey | JHDQHPJHLHKZDL-NSCUHMNNSA-N |
| Mol Weight | 148.54 g/mol |
| Molecular Formula | C5H5ClO3 |
| Exact Mass | 147.992722 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KPoXHxqGLJB |
|---|---|
| Name | Trans-3-(chloroformyl)acrylic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 147.992721718 u |
| Formula | C5H5ClO3 |
| InChI | InChI=1S/C5H5ClO3/c1-9-5(8)3-2-4(6)7/h2-3H,1H3/b3-2+ |
| InChIKey | JHDQHPJHLHKZDL-NSCUHMNNSA-N |
| SMILES | COC(=O)\C=C\C(=O)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.978969 |