![Benzoic acid, 5-[[4'-[[2,4-diamino-5-[(4-sulfophenyl)azo]Salicylacid(1)[-benzidin-](2)[m-Phenylendiamin(ac.)<-sulfanilacid]](/api/spectrum/IaBBclSLzoQ/structure.png?h=300&w=458 "Benzoic acid, 5-[[4'-[[2,4-diamino-5-[(4-sulfophenyl)azo]Salicylacid(1)[-benzidin-](2)[m-Phenylendiamin(ac.)<-sulfanilacid]")
| SpectraBase Compound ID | D8VG42er0jZ |
|---|---|
| InChI | InChI=1S/C31H24N8O6S.2Na/c32-26-16-27(33)29(39-36-22-9-12-24(13-10-22)46(43,44)45)17-28(26)38-35-21-7-3-19(4-8-21)18-1-5-20(6-2-18)34-37-23-11-14-30(40)25(15-23)31(41)42;;/h1-17,40H,32-33H2,(H,41,42)(H,43,44,45);;/q;2*+1/p-2/b37-34+,38-35+,39-36-;; |
| InChIKey | VLTXMDHMAOPIKT-FKGKGLAHSA-L |
| Mol Weight | 680.60653856 g/mol |
| Molecular Formula | C31H22N8Na2O6S |
| Exact Mass | 680.11784 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | IaBBclSLzoQ |
|---|---|
| Name | Benzoic acid, 5-[[4'-[[2,4-diamino-5-[(4-sulfophenyl)azo]Salicylacid(1)[-benzidin-](2)[m-Phenylendiamin(ac.)<-sulfanilacid] |
| CAS Registry Number | 3811-71-0 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C31H22N8Na2O6S |
| InChI | InChI=1S/C31H24N8O6S.2Na/c32-26-16-27(33)29(39-36-22-9-12-24(13-10-22)46(43,44)45)17-28(26)38-35-21-7-3-19(4-8-21)18-1-5-20(6-2-18)34-37-23-11-14-30(40)25(15-23)31(41)42;;/h1-17,40H,32-33H2,(H,41,42)(H,43,44,45);;/q;2*+1/p-2/b37-34+,38-35+,39-36-;; |
| InChIKey | VLTXMDHMAOPIKT-FKGKGLAHSA-L |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |