![1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-4-[[4-[[[5-hydroxy-6-(phenylazo)-7-sulfo-2-naphthalenyl]amino]carbonyl]phenyl]azo]-5-oxo-1-phenyl-, disodium salt](/api/spectrum/DQ8po88gHUm/structure.png?h=300&w=458 "1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-4-[[4-[[[5-hydroxy-6-(phenylazo)-7-sulfo-2-naphthalenyl]amino]carbonyl]phenyl]azo]-5-oxo-1-phenyl-, disodium salt")
| SpectraBase Compound ID | 4bESUW3x14z |
|---|---|
| InChI | InChI=1S/C33H23N7O8S.2Na/c41-30-25-16-15-23(17-20(25)18-26(49(46,47)48)27(30)37-35-21-7-3-1-4-8-21)34-31(42)19-11-13-22(14-12-19)36-38-28-29(33(44)45)39-40(32(28)43)24-9-5-2-6-10-24;;/h1-18,41,43H,(H,34,42)(H,44,45)(H,46,47,48);;/q;2*+1/p-2/b37-35-,38-36-;; |
| InChIKey | XFABCKWQPSOVMX-ODHFMREASA-L |
| Mol Weight | 721.61153856 g/mol |
| Molecular Formula | C33H21N7Na2O8S |
| Exact Mass | 721.09677 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | DQ8po88gHUm |
|---|---|
| Name | 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-4-[[4-[[[5-hydroxy-6-(phenylazo)-7-sulfo-2-naphthalenyl]amino]carbonyl]phenyl]azo]-5-oxo-1-phenyl-, disodium salt |
| CAS Registry Number | 5905-28-2 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C33H21N7Na2O8S |
| InChI | InChI=1S/C33H23N7O8S.2Na/c41-30-25-16-15-23(17-20(25)18-26(49(46,47)48)27(30)37-35-21-7-3-1-4-8-21)34-31(42)19-11-13-22(14-12-19)36-38-28-29(33(44)45)39-40(32(28)43)24-9-5-2-6-10-24;;/h1-18,41,43H,(H,34,42)(H,44,45)(H,46,47,48);;/q;2*+1/p-2/b37-35-,38-36-;; |
| InChIKey | XFABCKWQPSOVMX-ODHFMREASA-L |
| Instrument Name | Bruker IFS 85 |
| Synonyms | Aniline->N-p-aminobenzoyl-J=acid->3-carboxy-1-phenyl-5-pyrazolon |
| Technique | KBr-Pellet |