| SpectraBase Spectrum ID |
HsmJ1dDblgB |
| Name |
4-(2-Amino-4-chlorophenoxy)-3-chlorobenzenesulfonic acid, sodium salt |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.944878592 u |
| Formula |
C12H8Cl2NNaO4S |
| InChI |
InChI=1S/C12H9Cl2NO4S.Na/c13-7-1-3-12(10(15)5-7)19-11-4-2-8(6-9(11)14)20(16,17)18;/h1-6H,15H2,(H,16,17,18);/q;+1/p-1 |
| InChIKey |
XSFXPKNPNWUTCA-UHFFFAOYSA-M |
| Molecular Weight |
356.155 g/mol |
| SMILES |
[Na+].NC=1C(=CC=C(C1)Cl)OC=1C=CC(=CC1Cl)S(=O)(=O)[O-] |
| Spectrum/Structure Validation Score (Raman) |
0.875413 |
