| SpectraBase Spectrum ID |
HGSdRWT0GUv |
| Name |
8-Hydroxy-5,7-dinitro-2-naphthalenesulfonic acid, monosodium salt |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
335.966430575 u |
| Formula |
C10H5N2NaO8S |
| InChI |
InChI=1S/C10H6N2O8S.Na/c13-10-7-3-5(21(18,19)20)1-2-6(7)8(11(14)15)4-9(10)12(16)17;/h1-4,13H,(H,18,19,20);/q;+1/p-1 |
| InChIKey |
CGXSFOUXEQBDCJ-UHFFFAOYSA-M |
| Molecular Weight |
336.206 g/mol |
| SMILES |
OC=1C=2C=C(C=CC2C(=CC1N(=O)=O)N(=O)=O)S(=O)(=O)[O-].[Na+] |
| Spectrum/Structure Validation Score (Raman) |
0.917621 |
