| SpectraBase Compound ID | Jfby77afQSi |
|---|---|
| InChI | InChI=1S/C10H16Cl2O2/c1-2-7-5-3-4-6-8(7)14-10(13)9(11)12/h7-9H,2-6H2,1H3 |
| InChIKey | QKOBYWDVIXSFCJ-UHFFFAOYSA-N |
| Mol Weight | 239.14 g/mol |
| Molecular Formula | C10H16Cl2O2 |
| Exact Mass | 238.052735 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AFVXPIkVAFl |
|---|---|
| Name | Dichloroacetic acid, 2-ethylcyclohexyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.052735153 u |
| Formula | C10H16Cl2O2 |
| InChI | InChI=1S/C10H16Cl2O2/c1-2-7-5-3-4-6-8(7)14-10(13)9(11)12/h7-9H,2-6H2,1H3 |
| InChIKey | QKOBYWDVIXSFCJ-UHFFFAOYSA-N |
| Molecular Weight | 239.142 g/mol |
| SMILES | C(C(OC1CCCCC1CC)=O)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.824984 |