3-methyl-1-(6-sulfo-2-naphthyl)-5-pyrazolon[1,1'-Biphenyl]-3,3'-dicarboxylic acid, 4-[[1-acetyl-2-[(2-](/api/spectrum/CGONZesq6oX/structure.png?h=300&w=458 "o-Acetessigacidanisidid(2)[-3,3'-dicarboxybenzidin-](1)3-methyl-1-(6-sulfo-2-naphthyl)-5-pyrazolon[1,1'-Biphenyl]-3,3'-dicarboxylic acid, 4-[[1-acetyl-2-[(2-")
| SpectraBase Compound ID | 2aBpjqfzJ3v |
|---|---|
| InChI | InChI=1S/C39H31N7O11S.3Na/c1-20-34(37(49)46(45-20)26-12-8-23-17-27(58(54,55)56)13-9-22(23)16-26)43-41-30-14-10-24(18-28(30)38(50)51)25-11-15-31(29(19-25)39(52)53)42-44-35(21(2)47)36(48)40-32-6-4-5-7-33(32)57-3;;;/h4-19,47,49H,1-3H3,(H,40,48)(H,50,51)(H,52,53)(H,54,55,56);;;/q;3*+1/p-3/b35-21?,43-41+,44-42-;;; |
| InChIKey | GXBYSDHPHJEWCZ-YLDHWJSUSA-K |
| Mol Weight | 871.72030785 g/mol |
| Molecular Formula | C39H28N7Na3O11S |
| Exact Mass | 871.126059 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | CGONZesq6oX |
|---|---|
| Name | o-Acetessigacidanisidid(2)[-3,3'-dicarboxybenzidin-](1)3-methyl-1-(6-sulfo-2-naphthyl)-5-pyrazolon[1,1'-Biphenyl]-3,3'-dicarboxylic acid, 4-[[1-acetyl-2-[(2- |
| CAS Registry Number | 13194-82-6 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C39H28N7Na3O11S |
| InChI | InChI=1S/C39H31N7O11S.3Na/c1-20-34(37(49)46(45-20)26-12-8-23-17-27(58(54,55)56)13-9-22(23)16-26)43-41-30-14-10-24(18-28(30)38(50)51)25-11-15-31(29(19-25)39(52)53)42-44-35(21(2)47)36(48)40-32-6-4-5-7-33(32)57-3;;;/h4-19,47,49H,1-3H3,(H,40,48)(H,50,51)(H,52,53)(H,54,55,56);;;/q;3*+1/p-3/b35-21?,43-41+,44-42-;;; |
| InChIKey | GXBYSDHPHJEWCZ-YLDHWJSUSA-K |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |