![Benzoic acid, 5-[[4'-[[2,6-diamino-3-[(6,8-disulfo-2-naphthalenyl)azo]-5-methylphenyl]azo][1,1'-biphenyl]-4-yl]azo]-2-hydroxy-, trisodium salt](/api/spectrum/CYMWedRnaB6/structure.png?h=300&w=458 "Benzoic acid, 5-[[4'-[[2,6-diamino-3-[(6,8-disulfo-2-naphthalenyl)azo]-5-methylphenyl]azo][1,1'-biphenyl]-4-yl]azo]-2-hydroxy-, trisodium salt")
| SpectraBase Compound ID | GX1E5KMTHlj |
|---|---|
| InChI | InChI=1S/C36H28N8O9S2.3Na/c1-19-14-30(43-42-25-11-6-22-15-27(54(48,49)50)18-32(28(22)16-25)55(51,52)53)34(38)35(33(19)37)44-40-24-9-4-21(5-10-24)20-2-7-23(8-3-20)39-41-26-12-13-31(45)29(17-26)36(46)47;;;/h2-18,45H,37-38H2,1H3,(H,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3/b41-39+,43-42?,44-40?;;; |
| InChIKey | UJCPKJBBRWYPQO-VNYCLLCUSA-K |
| Mol Weight | 846.73230785 g/mol |
| Molecular Formula | C36H25N8Na3O9S2 |
| Exact Mass | 846.0879 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | CYMWedRnaB6 |
|---|---|
| Name | Benzoic acid, 5-[[4'-[[2,6-diamino-3-[(6,8-disulfo-2-naphthalenyl)azo]-5-methylphenyl]azo][1,1'-biphenyl]-4-yl]azo]-2-hydroxy-, trisodium salt |
| CAS Registry Number | 6897-47-8 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C36H25N8Na3O9S2 |
| InChI | InChI=1S/C36H28N8O9S2.3Na/c1-19-14-30(43-42-25-11-6-22-15-27(54(48,49)50)18-32(28(22)16-25)55(51,52)53)34(38)35(33(19)37)44-40-24-9-4-21(5-10-24)20-2-7-23(8-3-20)39-41-26-12-13-31(45)29(17-26)36(46)47;;;/h2-18,45H,37-38H2,1H3,(H,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3/b41-39+,43-42?,44-40?;;; |
| InChIKey | UJCPKJBBRWYPQO-VNYCLLCUSA-K |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |