| SpectraBase Compound ID | E5yLaeM9eU |
|---|---|
| InChI | InChI=1S/C8H16O3/c1-6(2)4-7(9)5-8(10)11-3/h6-7,9H,4-5H2,1-3H3 |
| InChIKey | SFJDGEXPYKDGTD-UHFFFAOYSA-N |
| Mol Weight | 160.21 g/mol |
| Molecular Formula | C8H16O3 |
| Exact Mass | 160.109944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7IML759ZvQ3 |
|---|---|
| Name | Hexanoic acid, 3-hydroxy-5-methyl-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.109944372 u |
| Formula | C8H16O3 |
| InChI | InChI=1S/C8H16O3/c1-6(2)4-7(9)5-8(10)11-3/h6-7,9H,4-5H2,1-3H3 |
| InChIKey | SFJDGEXPYKDGTD-UHFFFAOYSA-N |
| Molecular Weight | 160.213 g/mol |
| SMILES | CC(CC(CC(OC)=O)O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.860899 |