| SpectraBase Compound ID | NQFYE1ko0a |
|---|---|
| InChI | InChI=1S/C4H7NO4.2Na/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);;/q;2*+1/p-2 |
| InChIKey | XMXOIHIZTOVVFB-UHFFFAOYSA-L |
| Mol Weight | 177.06653856 g/mol |
| Molecular Formula | C4H5NNa2O4 |
| Exact Mass | 177.001396 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HLMvoXpvFG5 |
|---|---|
| Name | Aspartic acid, disodium salt |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.001396201 u |
| Formula | C4H5NNa2O4 |
| InChI | InChI=1S/C4H7NO4.2Na/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);;/q;2*+1/p-2 |
| InChIKey | XMXOIHIZTOVVFB-UHFFFAOYSA-L |
| Molecular Weight | 177.067 g/mol |
| SMILES | [Na+].NC(CC([O-])=O)C([O-])=O.[Na+] |
| Spectrum/Structure Validation Score (Raman) | 0.964376 |