![2-Pyrazoline-3-carboxylic acid, 1-(6-chloro-4-sulfo-o-tolyl)4-[(6-chloro-4-sulfo-o-tolyl)azo]-5-oxo-, trisodium salt](/api/spectrum/Lw5B2tPcKSH/structure.png?h=300&w=458 "2-Pyrazoline-3-carboxylic acid, 1-(6-chloro-4-sulfo-o-tolyl)4-[(6-chloro-4-sulfo-o-tolyl)azo]-5-oxo-, trisodium salt")
| SpectraBase Compound ID | 9FeTVPjOtJ0 |
|---|---|
| InChI | InChI=1S/C18H14Cl2N4O9S2.3Na/c1-7-3-9(34(28,29)30)5-11(19)13(7)21-22-14-15(18(26)27)23-24(17(14)25)16-8(2)4-10(6-12(16)20)35(31,32)33;;;/h3-6,25H,1-2H3,(H,26,27)(H,28,29,30)(H,31,32,33);;;/q;3*+1/p-3/b22-21+;;; |
| InChIKey | NTLWTSZSVUOQMU-ZRUFZDNISA-K |
| Mol Weight | 631.30030785 g/mol |
| Molecular Formula | C18H11Cl2N4Na3O9S2 |
| Exact Mass | 629.903759 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | Lw5B2tPcKSH |
|---|---|
| Name | 2-Pyrazoline-3-carboxylic acid, 1-(6-chloro-4-sulfo-o-tolyl)4-[(6-chloro-4-sulfo-o-tolyl)azo]-5-oxo-, trisodium salt |
| CAS Registry Number | 6359-63-3 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C18H11Cl2N4Na3O9S2 |
| InChI | InChI=1S/C18H14Cl2N4O9S2.3Na/c1-7-3-9(34(28,29)30)5-11(19)13(7)21-22-14-15(18(26)27)23-24(17(14)25)16-8(2)4-10(6-12(16)20)35(31,32)33;;;/h3-6,25H,1-2H3,(H,26,27)(H,28,29,30)(H,31,32,33);;;/q;3*+1/p-3/b22-21+;;; |
| InChIKey | NTLWTSZSVUOQMU-ZRUFZDNISA-K |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |