![Methylium, [3-methyl-4-methylamino-5-sulfophenyl][4-(methylamino)phenyl](3-nitro-2-sulfophenyl)-,sodium salt](/api/spectrum/EK1X9G67E0q/structure.png?h=300&w=458 "Methylium, [3-methyl-4-methylamino-5-sulfophenyl][4-(methylamino)phenyl](3-nitro-2-sulfophenyl)-,sodium salt")
| SpectraBase Compound ID | CRjffsWJQoV |
|---|---|
| InChI | InChI=1S/C22H23N3O6S2.Na/c1-13-10-16(12-20(22(13)25-3)33(29,30)31)21(14-4-7-17(24-2)8-5-14)15-6-9-18(23)19(11-15)32(26,27)28;/h4-12,25H,23H2,1-3H3,(H,26,27,28)(H,29,30,31);/q;+1/p-1/b21-14-,24-17?; |
| InChIKey | PZGUXPUYQAUWSI-XWMNGJSXSA-M |
| Mol Weight | 511.54276928 g/mol |
| Molecular Formula | C22H22N3NaO6S2 |
| Exact Mass | 511.084772 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | EK1X9G67E0q |
|---|---|
| Name | Methylium, [3-methyl-4-methylamino-5-sulfophenyl][4-(methylamino)phenyl](3-nitro-2-sulfophenyl)-,sodium salt |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C22H22N3NaO6S2 |
| InChI | InChI=1S/C22H23N3O6S2.Na/c1-13-10-16(12-20(22(13)25-3)33(29,30)31)21(14-4-7-17(24-2)8-5-14)15-6-9-18(23)19(11-15)32(26,27)28;/h4-12,25H,23H2,1-3H3,(H,26,27,28)(H,29,30,31);/q;+1/p-1/b21-14-,24-17?; |
| InChIKey | PZGUXPUYQAUWSI-XWMNGJSXSA-M |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |