| SpectraBase Compound ID | 7pzIeDtBj7S |
|---|---|
| InChI | InChI=1S/C6H8O7.3Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3 |
| InChIKey | HRXKRNGNAMMEHJ-UHFFFAOYSA-K |
| Mol Weight | 258.06830785 g/mol |
| Molecular Formula | C6H5Na3O7 |
| Exact Mass | 257.972835 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | FPzEhEVXPVF |
|---|---|
| Name | Citric acid, sodium salt |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.972835334 u |
| Formula | C6H5Na3O7 |
| InChI | InChI=1S/C6H8O7.3Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3 |
| InChIKey | HRXKRNGNAMMEHJ-UHFFFAOYSA-K |
| Molecular Weight | 258.068 g/mol |
| SMILES | [Na+].OC(CC([O-])=O)(C([O-])=O)CC(=O)[O-].[Na+].[Na+] |
| Spectrum/Structure Validation Score (Raman) | 0.973207 |