| SpectraBase Compound ID | N6eKAy4KKy |
|---|---|
| InChI | InChI=1S/C8H14Cl2O2/c1-6(2)4-3-5-12-8(11)7(9)10/h6-7H,3-5H2,1-2H3 |
| InChIKey | GICSKUFNSVHVCW-UHFFFAOYSA-N |
| Mol Weight | 213.1 g/mol |
| Molecular Formula | C8H14Cl2O2 |
| Exact Mass | 212.037085 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3NO9cNDBypY |
|---|---|
| Name | Dichloroacetic acid, 4-methylpentyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.037085089 u |
| Formula | C8H14Cl2O2 |
| InChI | InChI=1S/C8H14Cl2O2/c1-6(2)4-3-5-12-8(11)7(9)10/h6-7H,3-5H2,1-2H3 |
| InChIKey | GICSKUFNSVHVCW-UHFFFAOYSA-N |
| Molecular Weight | 213.104 g/mol |
| SMILES | C(C(=O)OCCCC(C)C)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.875891 |