| SpectraBase Compound ID | LCsId0mibhZ |
|---|---|
| InChI | InChI=1S/C6H12O3/c1-3-5(7)4(2)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9) |
| InChIKey | NVIHALDXJWGLFD-UHFFFAOYSA-N |
| Mol Weight | 132.16 g/mol |
| Molecular Formula | C6H12O3 |
| Exact Mass | 132.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3XRJ4uriSl6 |
|---|---|
| Name | 3-Hydroxy-2-methylpentanoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 132.078644243 u |
| Formula | C6H12O3 |
| InChI | InChI=1S/C6H12O3/c1-3-5(7)4(2)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9) |
| InChIKey | NVIHALDXJWGLFD-UHFFFAOYSA-N |
| SMILES | C(C(C(CC)O)C)(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947702 |