| SpectraBase Compound ID | EROU8rG5H6m |
|---|---|
| InChI | InChI=1S/C6H7Cl3O3/c1-3(7)4(10)6(8,9)5(11)12-2/h3H,1-2H3 |
| InChIKey | QZFYHKIQXHPJQF-UHFFFAOYSA-N |
| Mol Weight | 233.48 g/mol |
| Molecular Formula | C6H7Cl3O3 |
| Exact Mass | 231.946077 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ECctPearYrw |
|---|---|
| Name | Methyl 2,2,4-trichloro-3-oxopentanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.946077182 u |
| Formula | C6H7Cl3O3 |
| InChI | InChI=1S/C6H7Cl3O3/c1-3(7)4(10)6(8,9)5(11)12-2/h3H,1-2H3 |
| InChIKey | QZFYHKIQXHPJQF-UHFFFAOYSA-N |
| Molecular Weight | 233.478 g/mol |
| SMILES | C(Cl)(C(OC)=O)(C(C(C)Cl)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.820754 |