| SpectraBase Spectrum ID |
GXGwksCGbEU |
| Name |
5-Benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid, sodium salt |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.017403522 u |
| Formula |
C14H11NaO6S |
| InChI |
InChI=1S/C14H12O6S.Na/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9;/h2-8,15H,1H3,(H,17,18,19);/q;+1/p-1 |
| InChIKey |
KJCLYACXIWMFCC-UHFFFAOYSA-M |
| Molecular Weight |
330.286 g/mol |
| SMILES |
OC1=CC(=C(C=C1C(C1=CC=CC=C1)=O)S(=O)(=O)[O-])OC.[Na+] |
| Spectrum/Structure Validation Score (Raman) |
0.873994 |
