| SpectraBase Spectrum ID |
B4OjH5jftDm |
| Name |
1,5-Bismethylamino-4,8-dihydroxyanthrachinon-3-sulfonic acid-na salt; 2-anthracenesulfonic acid, 9,10-dihydro-1,5-dihydroxy-4,8-bis(methylamino)-9,10-dioxo-, monosodium salt |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.034116214 u |
| Formula |
C16H13N2NaO7S |
| InChI |
InChI=1S/C16H14N2O7S.Na/c1-17-6-3-4-8(19)12-10(6)16(22)13-11(15(12)21)7(18-2)5-9(14(13)20)26(23,24)25;/h3-5,17-20H,1-2H3,(H,23,24,25);/q;+1/p-1 |
| InChIKey |
XOHRRWJKOPPAKU-UHFFFAOYSA-M |
| Molecular Weight |
400.337 g/mol |
| SMILES |
OC=1C=2C(C=3C(=CC(=C(C3C(C2C(=CC1)NC)=O)O)S(=O)([O-])=O)NC)=O.[Na+] |
| Spectrum/Structure Validation Score (Raman) |
0.706106 |
