| SpectraBase Compound ID | Ffj7qxweha6 |
|---|---|
| InChI | InChI=1S/C4H10O3S.Na.H2O/c1-2-3-4-8(5,6)7;;/h2-4H2,1H3,(H,5,6,7);;1H2/q;+1;/p-1 |
| InChIKey | OLQHNSZWLPRPID-UHFFFAOYSA-M |
| Mol Weight | 178.178 g/mol |
| Molecular Formula | C4H11NaO4S |
| Exact Mass | 178.027574 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 21I5ZMNMiY8 |
|---|---|
| Name | 1-Butanesulfonic acid, sodium salt, monohydrate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.027574284 u |
| Formula | C4H11NaO4S |
| InChI | InChI=1S/C4H10O3S.Na.H2O/c1-2-3-4-8(5,6)7;;/h2-4H2,1H3,(H,5,6,7);;1H2/q;+1;/p-1 |
| InChIKey | OLQHNSZWLPRPID-UHFFFAOYSA-M |
| Molecular Weight | 178.178 g/mol |
| SMILES | O.CCCCS(=O)(=O)[O-].[Na+] |
| Spectrum/Structure Validation Score (Raman) | 0.953206 |