| SpectraBase Compound ID | DsTFi3NIart |
|---|---|
| InChI | InChI=1S/C6H12O2.Na/c1-3-5(2)4-6(7)8;/h5H,3-4H2,1-2H3,(H,7,8);/q;+1/p-1 |
| InChIKey | UONCLBUDXCZIOK-UHFFFAOYSA-M |
| Mol Weight | 138.14176928 g/mol |
| Molecular Formula | C6H11NaO2 |
| Exact Mass | 138.065674 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KrjyOlLYz8S |
|---|---|
| Name | 3-Methylvaleric acid, sodium salt |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 138.065673872 u |
| Formula | C6H11NaO2 |
| InChI | InChI=1S/C6H12O2.Na/c1-3-5(2)4-6(7)8;/h5H,3-4H2,1-2H3,(H,7,8);/q;+1/p-1 |
| InChIKey | UONCLBUDXCZIOK-UHFFFAOYSA-M |
| Molecular Weight | 138.142 g/mol |
| SMILES | [Na+].CCC(CC([O-])=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.948351 |