| SpectraBase Compound ID | JDeEBuPPgwa |
|---|---|
| InChI | InChI=1S/C7H6O2S.Na/c8-7(9)5-3-1-2-4-6(5)10;/h1-4,10H,(H,8,9);/q;+1/p-1 |
| InChIKey | HBAIZOJDXAXWHS-UHFFFAOYSA-M |
| Mol Weight | 176.16476928 g/mol |
| Molecular Formula | C7H5NaO2S |
| Exact Mass | 175.990795 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | G7Q5SDORH8K |
|---|---|
| Name | o-Mercaptobenzoic acid, monosodium salt |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.990794853 u |
| Formula | C7H5NaO2S |
| InChI | InChI=1S/C7H6O2S.Na/c8-7(9)5-3-1-2-4-6(5)10;/h1-4,10H,(H,8,9);/q;+1/p-1 |
| InChIKey | HBAIZOJDXAXWHS-UHFFFAOYSA-M |
| Molecular Weight | 176.165 g/mol |
| SMILES | [Na+].SC1=C(C=CC=C1)C([O-])=O |
| Spectrum/Structure Validation Score (Raman) | 0.961336 |