| SpectraBase Compound ID | 69L6W8SDOVD |
|---|---|
| InChI | InChI=1S/C8H15ClO2/c1-2-3-4-5-8(10)11-7-6-9/h2-7H2,1H3 |
| InChIKey | JIUOWPDPFXJIAC-UHFFFAOYSA-N |
| Mol Weight | 178.66 g/mol |
| Molecular Formula | C8H15ClO2 |
| Exact Mass | 178.076057 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ES0WFjEr8a3 |
|---|---|
| Name | Hexanoic acid, 2-chloroethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.076057421 u |
| Formula | C8H15ClO2 |
| InChI | InChI=1S/C8H15ClO2/c1-2-3-4-5-8(10)11-7-6-9/h2-7H2,1H3 |
| InChIKey | JIUOWPDPFXJIAC-UHFFFAOYSA-N |
| Molecular Weight | 178.659 g/mol |
| SMILES | C(CCC)CC(=O)OCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.989235 |