| SpectraBase Compound ID | CLECpZ9sx0G |
|---|---|
| InChI | InChI=1S/C4H4Cl2O2/c1-8-4(7)3(6)2-5/h2H,1H3/b3-2+ |
| InChIKey | DHANPGDOODFCAZ-NSCUHMNNSA-N |
| Mol Weight | 154.98 g/mol |
| Molecular Formula | C4H4Cl2O2 |
| Exact Mass | 153.958835 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6AvyoJzlIZ4 |
|---|---|
| Name | Trans-2,3-dichloroacrylic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 153.958834767 u |
| Formula | C4H4Cl2O2 |
| InChI | InChI=1S/C4H4Cl2O2/c1-8-4(7)3(6)2-5/h2H,1H3/b3-2+ |
| InChIKey | DHANPGDOODFCAZ-NSCUHMNNSA-N |
| SMILES | C(\C(=C/Cl)Cl)(OC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.958316 |