| SpectraBase Compound ID | BTJEYdn2eFC |
|---|---|
| InChI | InChI=1S/C15H21ClO2/c1-2-3-4-5-6-7-12-18-15(17)13-8-10-14(16)11-9-13/h8-11H,2-7,12H2,1H3 |
| InChIKey | JIAKTPQRGQDKAH-UHFFFAOYSA-N |
| Mol Weight | 268.78 g/mol |
| Molecular Formula | C15H21ClO2 |
| Exact Mass | 268.123008 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1yHm91stgd6 |
|---|---|
| Name | 4-Chlorobenzoic acid, octyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.123007614 u |
| Formula | C15H21ClO2 |
| InChI | InChI=1S/C15H21ClO2/c1-2-3-4-5-6-7-12-18-15(17)13-8-10-14(16)11-9-13/h8-11H,2-7,12H2,1H3 |
| InChIKey | JIAKTPQRGQDKAH-UHFFFAOYSA-N |
| SMILES | CCCCCCCCOC(=O)C=1C=CC(Cl)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.897863 |