| SpectraBase Compound ID | 8vmTVjS93EN |
|---|---|
| InChI | InChI=1S/C4H6O5.2Na/c5-2(4(8)9)1-3(6)7;;/h2,5H,1H2,(H,6,7)(H,8,9);;/q;2*+1/p-2 |
| InChIKey | WPUMTJGUQUYPIV-UHFFFAOYSA-L |
| Mol Weight | 178.05053856 g/mol |
| Molecular Formula | C4H4Na2O5 |
| Exact Mass | 177.985412 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9j9kO9hHFOB |
|---|---|
| Name | Sodium-malate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.985411784 u |
| Formula | C4H4Na2O5 |
| InChI | InChI=1S/C4H6O5.2Na/c5-2(4(8)9)1-3(6)7;;/h2,5H,1H2,(H,6,7)(H,8,9);;/q;2*+1/p-2 |
| InChIKey | WPUMTJGUQUYPIV-UHFFFAOYSA-L |
| Molecular Weight | 178.051 g/mol |
| SMILES | [Na+].C([O-])(C(CC([O-])=O)O)=O.[Na+] |
| Spectrum/Structure Validation Score (Raman) | 0.893467 |