| SpectraBase Compound ID | Izy7o7EmH0O |
|---|---|
| InChI | InChI=1S/C8H8O4.Na/c1-12-7-4-5(8(10)11)2-3-6(7)9;/h2-4,9H,1H3,(H,10,11);/q;+1/p-1 |
| InChIKey | ZFRVFUWCVYLUIH-UHFFFAOYSA-M |
| Mol Weight | 190.12976928 g/mol |
| Molecular Formula | C8H7NaO4 |
| Exact Mass | 190.024203 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9ofAp3Sgj9d |
|---|---|
| Name | Vanillic acid, monosodium salt |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.024202981 u |
| Formula | C8H7NaO4 |
| InChI | InChI=1S/C8H8O4.Na/c1-12-7-4-5(8(10)11)2-3-6(7)9;/h2-4,9H,1H3,(H,10,11);/q;+1/p-1 |
| InChIKey | ZFRVFUWCVYLUIH-UHFFFAOYSA-M |
| Molecular Weight | 190.130 g/mol |
| SMILES | [Na+].OC=1C(=CC(=CC1)C([O-])=O)OC |
| Spectrum/Structure Validation Score (Raman) | 0.972914 |