| SpectraBase Compound ID | GxJjHiXp5gG |
|---|---|
| InChI | InChI=1S/C13H22Cl2O2/c1-2-3-4-5-6-7-8-9-10-11-17-13(16)12(14)15/h2,12H,1,3-11H2 |
| InChIKey | OARSSRKAOQJOFF-UHFFFAOYSA-N |
| Mol Weight | 281.22 g/mol |
| Molecular Formula | C13H22Cl2O2 |
| Exact Mass | 280.099685 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | kZ19VKMCsg |
|---|---|
| Name | Dichloroacetic acid, undec-10-enyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.099685346 u |
| Formula | C13H22Cl2O2 |
| InChI | InChI=1S/C13H22Cl2O2/c1-2-3-4-5-6-7-8-9-10-11-17-13(16)12(14)15/h2,12H,1,3-11H2 |
| InChIKey | OARSSRKAOQJOFF-UHFFFAOYSA-N |
| SMILES | C=CCCCCCCCCCOC(C(Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957703 |