| SpectraBase Compound ID | ZYD7UIZDh3 |
|---|---|
| InChI | InChI=1S/C5H7Cl3O2/c6-1-5(2-7,3-8)4(9)10/h1-3H2,(H,9,10) |
| InChIKey | RDRNKIGGASXJAX-UHFFFAOYSA-N |
| Mol Weight | 205.47 g/mol |
| Molecular Formula | C5H7Cl3O2 |
| Exact Mass | 203.951163 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9iaCvp5ZKMQ |
|---|---|
| Name | 2,2-bis(Chloromethyl)-3-chloropropionic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.951162563 u |
| Formula | C5H7Cl3O2 |
| InChI | InChI=1S/C5H7Cl3O2/c6-1-5(2-7,3-8)4(9)10/h1-3H2,(H,9,10) |
| InChIKey | RDRNKIGGASXJAX-UHFFFAOYSA-N |
| SMILES | OC(C(CCl)(CCl)CCl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.948026 |