| SpectraBase Compound ID | BshZmvxmb8V |
|---|---|
| InChI | InChI=1S/C4H4Cl2O3/c1-9-4(8)2(7)3(5)6/h3H,1H3 |
| InChIKey | UKGAJIPDOCPNDX-UHFFFAOYSA-N |
| Mol Weight | 170.98 g/mol |
| Molecular Formula | C4H4Cl2O3 |
| Exact Mass | 169.953749 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JYnh4IiYDkQ |
|---|---|
| Name | Methyl dichloropyruvate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 169.953749386 u |
| Formula | C4H4Cl2O3 |
| InChI | InChI=1S/C4H4Cl2O3/c1-9-4(8)2(7)3(5)6/h3H,1H3 |
| InChIKey | UKGAJIPDOCPNDX-UHFFFAOYSA-N |
| Molecular Weight | 170.979 g/mol |
| SMILES | C(C(=O)C(Cl)Cl)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976673 |