| SpectraBase Compound ID | FtvnB9qUVAi |
|---|---|
| InChI | InChI=1S/C5H6Cl2O4/c6-1-5(2-7,3(8)9)4(10)11/h1-2H2,(H,8,9)(H,10,11) |
| InChIKey | YOLWQWJKGNGJKQ-UHFFFAOYSA-N |
| Mol Weight | 201.0 g/mol |
| Molecular Formula | C5H6Cl2O4 |
| Exact Mass | 199.964314 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B3OmPsb6NRL |
|---|---|
| Name | 2,2-bis(Chloromethyl)malonic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.964314069 u |
| Formula | C5H6Cl2O4 |
| InChI | InChI=1S/C5H6Cl2O4/c6-1-5(2-7,3(8)9)4(10)11/h1-2H2,(H,8,9)(H,10,11) |
| InChIKey | YOLWQWJKGNGJKQ-UHFFFAOYSA-N |
| Molecular Weight | 201.005 g/mol |
| SMILES | C(C(=O)O)(C(=O)O)(CCl)CCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.849514 |