![Benzoic acid, 3,3'-[carbonylbis[imino(2-methyl-4,1-phenylene)azo-4,1-phenylenecarbonylimino]]bis[2-hydroxy-5-sulfo-, tetrasodium salt](/api/spectrum/3zszBMrp096/structure.png?h=300&w=458 "Benzoic acid, 3,3'-[carbonylbis[imino(2-methyl-4,1-phenylene)azo-4,1-phenylenecarbonylimino]]bis[2-hydroxy-5-sulfo-, tetrasodium salt")
| SpectraBase Compound ID | iP9erGWOCn |
|---|---|
| InChI | InChI=1S/C43H34N8O15S2.4Na/c1-21-15-27(11-13-33(21)50-48-25-7-3-23(4-8-25)39(54)46-35-19-29(67(61,62)63)17-31(37(35)52)41(56)57)44-43(60)45-28-12-14-34(22(2)16-28)51-49-26-9-5-24(6-10-26)40(55)47-36-20-30(68(64,65)66)18-32(38(36)53)42(58)59;;;;/h3-20,52-53H,1-2H3,(H,46,54)(H,47,55)(H,56,57)(H,58,59)(H2,44,45,60)(H,61,62,63)(H,64,65,66);;;;/q;4*+1/p-4/b50-48-,51-49-;;;; |
| InChIKey | ZNVVYQUTMUNBTP-ZAXSFGPYSA-J |
| Mol Weight | 1054.83307713 g/mol |
| Molecular Formula | C43H30N8Na4O15S2 |
| Exact Mass | 1054.086282 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 3zszBMrp096 |
|---|---|
| Name | Benzoic acid, 3,3'-[carbonylbis[imino(2-methyl-4,1-phenylene)azo-4,1-phenylenecarbonylimino]]bis[2-hydroxy-5-sulfo-, tetrasodium salt |
| CAS Registry Number | 6420-28-6 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C43H30N8Na4O15S2 |
| InChI | InChI=1S/C43H34N8O15S2.4Na/c1-21-15-27(11-13-33(21)50-48-25-7-3-23(4-8-25)39(54)46-35-19-29(67(61,62)63)17-31(37(35)52)41(56)57)44-43(60)45-28-12-14-34(22(2)16-28)51-49-26-9-5-24(6-10-26)40(55)47-36-20-30(68(64,65)66)18-32(38(36)53)42(58)59;;;;/h3-20,52-53H,1-2H3,(H,46,54)(H,47,55)(H,56,57)(H,58,59)(H2,44,45,60)(H,61,62,63)(H,64,65,66);;;;/q;4*+1/p-4/b50-48-,51-49-;;;; |
| InChIKey | ZNVVYQUTMUNBTP-ZAXSFGPYSA-J |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |