| SpectraBase Spectrum ID |
9Au7yYq9B32 |
| Name |
1,4-Diamino-2,3-dichloroanthracene-9,10-dione-sulfonic acid-na salt |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
407.935042182 u |
| Formula |
C14H7Cl2N2NaO5S |
| InChI |
InChI=1S/C14H8Cl2N2O5S.Na/c15-9-10(16)12(18)8-7(11(9)17)13(19)5-2-1-4(24(21,22)23)3-6(5)14(8)20;/h1-3H,17-18H2,(H,21,22,23);/q;+1/p-1 |
| InChIKey |
KAJXQNMLVVOEJA-UHFFFAOYSA-M |
| Molecular Weight |
409.175 g/mol |
| SMILES |
NC1=C(C(=C(C=2C(C=3C=CC(=CC3C(C12)=O)S(=O)([O-])=O)=O)N)Cl)Cl.[Na+] |
| Spectrum/Structure Validation Score (Raman) |
0.93909 |
