| SpectraBase Compound ID | 9AUepUbJ0ol |
|---|---|
| InChI | InChI=1S/C12H23ClO2/c1-12(14)15-11-9-7-5-3-2-4-6-8-10-13/h2-11H2,1H3 |
| InChIKey | JFOKWOUOZKLRKE-UHFFFAOYSA-N |
| Mol Weight | 234.77 g/mol |
| Molecular Formula | C12H23ClO2 |
| Exact Mass | 234.138658 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Lbmc05e1ccw |
|---|---|
| Name | Acetic acid, 10-chlorodecyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.138657679 u |
| Formula | C12H23ClO2 |
| InChI | InChI=1S/C12H23ClO2/c1-12(14)15-11-9-7-5-3-2-4-6-8-10-13/h2-11H2,1H3 |
| InChIKey | JFOKWOUOZKLRKE-UHFFFAOYSA-N |
| Molecular Weight | 234.767 g/mol |
| SMILES | C(OCCCCCCCCCCCl)(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.915977 |