| SpectraBase Compound ID | CukzoEQvAHq |
|---|---|
| InChI | InChI=1S/C8H8O3.Na/c9-7(8(10)11)6-4-2-1-3-5-6;/h1-5,7,9H,(H,10,11);/q;+1/p-1 |
| InChIKey | FWDLHTBMGQEUDU-UHFFFAOYSA-M |
| Mol Weight | 174.13076928 g/mol |
| Molecular Formula | C8H7NaO3 |
| Exact Mass | 174.029288 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 54PJp5GfCHN |
|---|---|
| Name | dl-Mandelic acid, monosodium salt |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.029288362 u |
| Formula | C8H7NaO3 |
| InChI | InChI=1S/C8H8O3.Na/c9-7(8(10)11)6-4-2-1-3-5-6;/h1-5,7,9H,(H,10,11);/q;+1/p-1 |
| InChIKey | FWDLHTBMGQEUDU-UHFFFAOYSA-M |
| Molecular Weight | 174.131 g/mol |
| SMILES | [Na+].OC(C1=CC=CC=C1)C([O-])=O |
| Spectrum/Structure Validation Score (Raman) | 0.992093 |