![Salicylic acid, 3,3'-[(2,2'-dimethyl-4,4'-biphenylylene)bis[azo(3-methyl-5-oxo-2-pyrazoline-4,1-diyl)]]bis[5-sulfo-, tetrasodium salt](/api/spectrum/1aNskfc5hZZ/structure.png?h=300&w=458 "Salicylic acid, 3,3'-[(2,2'-dimethyl-4,4'-biphenylylene)bis[azo(3-methyl-5-oxo-2-pyrazoline-4,1-diyl)]]bis[5-sulfo-, tetrasodium salt")
| SpectraBase Compound ID | DEr6riyhZZt |
|---|---|
| InChI | InChI=1S/C36H30N8O14S2.4Na/c1-15-9-19(37-39-29-17(3)41-43(33(29)47)27-13-21(59(53,54)55)11-25(31(27)45)35(49)50)5-7-23(15)24-8-6-20(10-16(24)2)38-40-30-18(4)42-44(34(30)48)28-14-22(60(56,57)58)12-26(32(28)46)36(51)52;;;;/h5-14,45-48H,1-4H3,(H,49,50)(H,51,52)(H,53,54,55)(H,56,57,58);;;;/q;4*+1/p-4/b39-37+,40-38+;;;; |
| InChIKey | PKJHDXLPHRGTSF-GPTZEZBUSA-J |
| Mol Weight | 950.72507713 g/mol |
| Molecular Formula | C36H26N8Na4O14S2 |
| Exact Mass | 950.060067 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 1aNskfc5hZZ |
|---|---|
| Name | Salicylic acid, 3,3'-[(2,2'-dimethyl-4,4'-biphenylylene)bis[azo(3-methyl-5-oxo-2-pyrazoline-4,1-diyl)]]bis[5-sulfo-, tetrasodium salt |
| CAS Registry Number | 6448-79-9 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C36H26N8Na4O14S2 |
| InChI | InChI=1S/C36H30N8O14S2.4Na/c1-15-9-19(37-39-29-17(3)41-43(33(29)47)27-13-21(59(53,54)55)11-25(31(27)45)35(49)50)5-7-23(15)24-8-6-20(10-16(24)2)38-40-30-18(4)42-44(34(30)48)28-14-22(60(56,57)58)12-26(32(28)46)36(51)52;;;;/h5-14,45-48H,1-4H3,(H,49,50)(H,51,52)(H,53,54,55)(H,56,57,58);;;;/q;4*+1/p-4/b39-37+,40-38+;;;; |
| InChIKey | PKJHDXLPHRGTSF-GPTZEZBUSA-J |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |