![<-p-Nitroaniline]Benzoic acid, 5-[[4'-[[8-amino-1-hydroxy-7-[(4-nitrophenyl)Salicylic acid(1)[-benzidine-](2)(alk)[H=acid(ac)](/api/spectrum/LPuwlj27y7I/structure.png?h=300&w=458 "<-p-Nitroaniline]Benzoic acid, 5-[[4'-[[8-amino-1-hydroxy-7-[(4-nitrophenyl)Salicylic acid(1)[-benzidine-](2)(alk)[H=acid(ac)")
| SpectraBase Compound ID | HxcM6KdQHim |
|---|---|
| InChI | InChI=1S/C35H24N8O12S2.3Na/c36-31-30-20(15-28(56(50,51)52)32(31)41-38-23-9-12-25(13-10-23)43(48)49)16-29(57(53,54)55)33(34(30)45)42-39-22-7-3-19(4-8-22)18-1-5-21(6-2-18)37-40-24-11-14-27(44)26(17-24)35(46)47;;;/h1-17,44-45H,36H2,(H,46,47)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3/b40-37+,41-38-,42-39+;;; |
| InChIKey | DBDVUUCUDYNZHB-SBGHNRANSA-K |
| Mol Weight | 878.68630785 g/mol |
| Molecular Formula | C35H21N8Na3O12S2 |
| Exact Mass | 878.041343 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | LPuwlj27y7I |
|---|---|
| Name | <-p-Nitroaniline]Benzoic acid, 5-[[4'-[[8-amino-1-hydroxy-7-[(4-nitrophenyl)Salicylic acid(1)[-benzidine-](2)(alk)[H=acid(ac) |
| CAS Registry Number | 5422-17-3 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C35H21N8Na3O12S2 |
| InChI | InChI=1S/C35H24N8O12S2.3Na/c36-31-30-20(15-28(56(50,51)52)32(31)41-38-23-9-12-25(13-10-23)43(48)49)16-29(57(53,54)55)33(34(30)45)42-39-22-7-3-19(4-8-22)18-1-5-21(6-2-18)37-40-24-11-14-27(44)26(17-24)35(46)47;;;/h1-17,44-45H,36H2,(H,46,47)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3/b40-37+,41-38-,42-39+;;; |
| InChIKey | DBDVUUCUDYNZHB-SBGHNRANSA-K |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |