| SpectraBase Compound ID | JXqFsue0zWY |
|---|---|
| InChI | InChI=1S/C14H23ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-17-14(16)13-15/h2,5-13H2,1H3 |
| InChIKey | OQXWBOKVXLXCRI-UHFFFAOYSA-N |
| Mol Weight | 258.79 g/mol |
| Molecular Formula | C14H23ClO2 |
| Exact Mass | 258.138658 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B1UWdgVi3u5 |
|---|---|
| Name | Chloroacetic acid, dodec-9-ynyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.138657679 u |
| Formula | C14H23ClO2 |
| InChI | InChI=1S/C14H23ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-17-14(16)13-15/h2,5-13H2,1H3 |
| InChIKey | OQXWBOKVXLXCRI-UHFFFAOYSA-N |
| Molecular Weight | 258.789 g/mol |
| SMILES | C(CCCC#CCC)CCCCOC(CCl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.985149 |