| SpectraBase Compound ID | 546P7DCS8Hv |
|---|---|
| InChI | InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h3H,1,4-19H2,2H3 |
| InChIKey | ADDQXUZECUAIGS-UHFFFAOYSA-N |
| Mol Weight | 310.5 g/mol |
| Molecular Formula | C20H38O2 |
| Exact Mass | 310.28718 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | K7c8V7eYb4f |
|---|---|
| Name | 17-Octadecen-1-ol acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.287180462 u |
| Formula | C20H38O2 |
| InChI | InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h3H,1,4-19H2,2H3 |
| InChIKey | ADDQXUZECUAIGS-UHFFFAOYSA-N |
| Molecular Weight | 310.522 g/mol |
| SMILES | C=CCCCCCCCCCCCCCCCCOC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.854967 |