| SpectraBase Compound ID | 3xRimsffqHj |
|---|---|
| InChI | InChI=1S/C24H22N2O5S.Na/c1-2-3-6-14-9-11-15(12-10-14)26-18-13-19(32(29,30)31)22(25)21-20(18)23(27)16-7-4-5-8-17(16)24(21)28;/h4-5,7-13,26H,2-3,6,25H2,1H3,(H,29,30,31);/q;+1/p-1 |
| InChIKey | QUBWRMVVDDDDBG-UHFFFAOYSA-M |
| Mol Weight | 472.49 g/mol |
| Molecular Formula | C24H21N2NaO5S |
| Exact Mass | 472.106887 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FoyhzG8R66B |
|---|---|
| Name | Alizarine fast blue gss |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 472.106887233 u |
| Formula | C24H21N2NaO5S |
| InChI | InChI=1S/C24H22N2O5S.Na/c1-2-3-6-14-9-11-15(12-10-14)26-18-13-19(32(29,30)31)22(25)21-20(18)23(27)16-7-4-5-8-17(16)24(21)28;/h4-5,7-13,26H,2-3,6,25H2,1H3,(H,29,30,31);/q;+1/p-1 |
| InChIKey | QUBWRMVVDDDDBG-UHFFFAOYSA-M |
| Molecular Weight | 472.491 g/mol |
| SMILES | N(C1=CC=C(C=C1)CCCC)C=1C=2C(C=3C=CC=CC3C(C2C(=C(C1)S(=O)(=O)O[Na])N)=O)=O |