![1H-Pyrazole-3-carboxylic acid, 1-(3-aminophenyl)-4,5-dihydro-4-[[4-[[[5-hydroxy-6-(phenylazo)-7-sulfo-2-naphthalenyl]amino]carbonyl]phenyl]azo]-5-oxo-, disodium salt](/api/spectrum/2Irx9geq0I9/structure.png?h=300&w=458 "1H-Pyrazole-3-carboxylic acid, 1-(3-aminophenyl)-4,5-dihydro-4-[[4-[[[5-hydroxy-6-(phenylazo)-7-sulfo-2-naphthalenyl]amino]carbonyl]phenyl]azo]-5-oxo-, disodium salt")
| SpectraBase Compound ID | JTbEj58KVpb |
|---|---|
| InChI | InChI=1S/C33H24N8O8S.2Na/c34-20-5-4-8-24(17-20)41-32(44)28(29(40-41)33(45)46)39-37-22-11-9-18(10-12-22)31(43)35-23-13-14-25-19(15-23)16-26(50(47,48)49)27(30(25)42)38-36-21-6-2-1-3-7-21;;/h1-17,42,44H,34H2,(H,35,43)(H,45,46)(H,47,48,49);;/q;2*+1/p-2/b38-36+,39-37+;; |
| InChIKey | XLCIMKRHSWSLFE-PYIFGEPISA-L |
| Mol Weight | 736.62653856 g/mol |
| Molecular Formula | C33H22N8Na2O8S |
| Exact Mass | 736.107669 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 2Irx9geq0I9 |
|---|---|
| Name | 1H-Pyrazole-3-carboxylic acid, 1-(3-aminophenyl)-4,5-dihydro-4-[[4-[[[5-hydroxy-6-(phenylazo)-7-sulfo-2-naphthalenyl]amino]carbonyl]phenyl]azo]-5-oxo-, disodium salt |
| CAS Registry Number | 5852-25-5 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C33H22N8Na2O8S |
| InChI | InChI=1S/C33H24N8O8S.2Na/c34-20-5-4-8-24(17-20)41-32(44)28(29(40-41)33(45)46)39-37-22-11-9-18(10-12-22)31(43)35-23-13-14-25-19(15-23)16-26(50(47,48)49)27(30(25)42)38-36-21-6-2-1-3-7-21;;/h1-17,42,44H,34H2,(H,35,43)(H,45,46)(H,47,48,49);;/q;2*+1/p-2/b38-36+,39-37+;; |
| InChIKey | XLCIMKRHSWSLFE-PYIFGEPISA-L |
| Instrument Name | Bruker IFS 85 |
| Synonyms | Aniline->N-p-aminobenzoyl-J=acid->3-carboxy-1-m-nitrophenyl-5-pyrazolon/reduc.NO2 to NH2 |
| Technique | KBr-Pellet |