| SpectraBase Spectrum ID |
1042vWFJQTI |
| Name |
2-Hydroxy-1-naphthalenemethanesulfonic acid, sodium salt, acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.022488903 u |
| Formula |
C13H11NaO5S |
| InChI |
InChI=1S/C13H12O5S.Na/c1-9(14)18-13-7-6-10-4-2-3-5-11(10)12(13)8-19(15,16)17;/h2-7H,8H2,1H3,(H,15,16,17);/q;+1/p-1 |
| InChIKey |
DGDDZBXOFXBVFF-UHFFFAOYSA-M |
| Molecular Weight |
302.276 g/mol |
| SMILES |
C1=CC=CC2=C1C(=C(C=C2)OC(C)=O)CS([O-])(=O)=O.[Na+] |
| Spectrum/Structure Validation Score (Raman) |
0.801654 |
