| SpectraBase Compound ID | 92xhDfLWUfi |
|---|---|
| InChI | InChI=1S/C12H22Cl2O2/c13-9-5-3-1-2-4-6-11-16-12(15)8-7-10-14/h1-11H2 |
| InChIKey | IGLCKPGKGWWLBI-UHFFFAOYSA-N |
| Mol Weight | 269.21 g/mol |
| Molecular Formula | C12H22Cl2O2 |
| Exact Mass | 268.099685 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KiujlBkHDnH |
|---|---|
| Name | 4-Chlorobutyric acid, 8-chlorooctyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.099685346 u |
| Formula | C12H22Cl2O2 |
| InChI | InChI=1S/C12H22Cl2O2/c13-9-5-3-1-2-4-6-11-16-12(15)8-7-10-14/h1-11H2 |
| InChIKey | IGLCKPGKGWWLBI-UHFFFAOYSA-N |
| SMILES | C(Cl)CCCCCCCOC(CCCCl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951231 |