| SpectraBase Compound ID | LSOdfuBayL6 |
|---|---|
| InChI | InChI=1S/C9H14Cl2O4/c1-2-3-4-14-8(12)5-9(13)15-6-7(10)11/h7H,2-6H2,1H3 |
| InChIKey | OXMJTLDSJUOPRS-UHFFFAOYSA-N |
| Mol Weight | 257.11 g/mol |
| Molecular Formula | C9H14Cl2O4 |
| Exact Mass | 256.026914 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 75fMKlaIUX4 |
|---|---|
| Name | Malonic acid, butyl 2,2-dichloroethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.026914327 u |
| Formula | C9H14Cl2O4 |
| InChI | InChI=1S/C9H14Cl2O4/c1-2-3-4-14-8(12)5-9(13)15-6-7(10)11/h7H,2-6H2,1H3 |
| InChIKey | OXMJTLDSJUOPRS-UHFFFAOYSA-N |
| SMILES | C(OCC(Cl)Cl)(CC(OCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.912084 |