| SpectraBase Compound ID | Lb0nPk6D09M |
|---|---|
| InChI | InChI=1S/C10H20O3/c1-3-5-6-7-9(11)8-10(12)13-4-2/h9,11H,3-8H2,1-2H3 |
| InChIKey | VGWUJHSTGYCXQQ-UHFFFAOYSA-N |
| Mol Weight | 188.27 g/mol |
| Molecular Formula | C10H20O3 |
| Exact Mass | 188.141245 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7pHX2ECfHkn |
|---|---|
| Name | Ethyl 3-hydroxyoctanoate |
| 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/c1-3-5-6-7-9(11)8-10(12)13-4-2/h9,11H,3-8H2,1-2H3 |
| InChIKey | VGWUJHSTGYCXQQ-UHFFFAOYSA-N |
| Molecular Weight | 188.267 g/mol |
| SMILES | C(OC(=O)CC(O)CCCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930764 |