| SpectraBase Compound ID | 8lOMoWkO86P |
|---|---|
| InChI | InChI=1S/C11H20O4/c1-4-6-10(15-9(2)12)7-5-8-11(13)14-3/h10H,4-8H2,1-3H3 |
| InChIKey | HDTOWGXOBDOTGE-UHFFFAOYSA-N |
| Mol Weight | 216.28 g/mol |
| Molecular Formula | C11H20O4 |
| Exact Mass | 216.136159 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IZvUawY6gT9 |
|---|---|
| Name | Octanoic acid, 5-(acetyloxy)-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.136159120 u |
| Formula | C11H20O4 |
| InChI | InChI=1S/C11H20O4/c1-4-6-10(15-9(2)12)7-5-8-11(13)14-3/h10H,4-8H2,1-3H3 |
| InChIKey | HDTOWGXOBDOTGE-UHFFFAOYSA-N |
| Molecular Weight | 216.277 g/mol |
| SMILES | CC(=O)OC(CCC)CCCC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.85911 |