| SpectraBase Compound ID | FiFifQQZttu |
|---|---|
| InChI | InChI=1S/C7H8O3S.Na/c8-11(9,10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,8,9,10);/q;+1/p-1 |
| InChIKey | YNBRSWNUNPAQOF-UHFFFAOYSA-M |
| Mol Weight | 194.17976928 g/mol |
| Molecular Formula | C7H7NaO3S |
| Exact Mass | 194.00136 g/mol |
Raman Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JoRFZG5f2qP |
|---|---|
| Name | alpha-Toluenesulfonic acid, sodium salt |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.001359536 u |
| Formula | C7H7NaO3S |
| InChI | InChI=1S/C7H8O3S.Na/c8-11(9,10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,8,9,10);/q;+1/p-1 |
| InChIKey | YNBRSWNUNPAQOF-UHFFFAOYSA-M |
| Molecular Weight | 194.180 g/mol |
| SMILES | [Na+].C=1C(=CC=CC1)CS(=O)(=O)[O-] |
| Spectrum/Structure Validation Score (Raman) | 0.977193 |