| SpectraBase Compound ID | FwNdYAI7A |
|---|---|
| InChI | InChI=1S/C15H21ClO2/c1-2-13-7-9-14(10-8-13)15(17)18-12-6-4-3-5-11-16/h7-10H,2-6,11-12H2,1H3 |
| InChIKey | VRVKSLLSKUFKLJ-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 | B9tV6r0nueA |
|---|---|
| Name | 4-Ethylbenzoic acid, 6-chlorohexyl 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/c1-2-13-7-9-14(10-8-13)15(17)18-12-6-4-3-5-11-16/h7-10H,2-6,11-12H2,1H3 |
| InChIKey | VRVKSLLSKUFKLJ-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(C=C1)CC)(OCCCCCCCl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.844238 |