| SpectraBase Compound ID | 3LUH2vENSFX |
|---|---|
| InChI | InChI=1S/C10H20O3/c1-3-4-5-6-7-9(11)8-10(12)13-2/h9,11H,3-8H2,1-2H3 |
| InChIKey | KHCQOQFCKCGHHU-UHFFFAOYSA-N |
| Mol Weight | 188.27 g/mol |
| Molecular Formula | C10H20O3 |
| Exact Mass | 188.141245 g/mol |
| SpectraBase Spectrum ID | LDOjD9Ouv71 |
|---|---|
| Name | 3-Hydroxynonanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.141244501 u |
| Formula | C10H20O3 |
| InChI | InChI=1S/C10H20O3/c1-3-4-5-6-7-9(11)8-10(12)13-2/h9,11H,3-8H2,1-2H3 |
| InChIKey | KHCQOQFCKCGHHU-UHFFFAOYSA-N |
| Molecular Weight | 188.267 g/mol |
| SMILES | C(CC(CCCCCC)O)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.808795 |