![1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-, 3-ethyl ester](/api/spectrum/3md6oC90Ozw/structure.png?h=300&w=458 "1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-, 3-ethyl ester")
| SpectraBase Compound ID | 4HMOigj1L61 |
|---|---|
| InChI | InChI=1S/C18H16N4O9S2.2Na/c1-2-31-18(24)16-15(20-19-11-3-7-13(8-4-11)32(25,26)27)17(23)22(21-16)12-5-9-14(10-6-12)33(28,29)30;;/h3-10,23H,2H2,1H3,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2/b20-19+;; |
| InChIKey | FNNCFUNDUBUPBG-LLIZZRELSA-L |
| Mol Weight | 540.42853856 g/mol |
| Molecular Formula | C18H14N4Na2O9S2 |
| Exact Mass | 539.999759 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 3md6oC90Ozw |
|---|---|
| Name | 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-, 3-ethyl ester |
| CAS Registry Number | 6359-65-5 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C18H14N4Na2O9S2 |
| InChI | InChI=1S/C18H16N4O9S2.2Na/c1-2-31-18(24)16-15(20-19-11-3-7-13(8-4-11)32(25,26)27)17(23)22(21-16)12-5-9-14(10-6-12)33(28,29)30;;/h3-10,23H,2H2,1H3,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2/b20-19+;; |
| InChIKey | FNNCFUNDUBUPBG-LLIZZRELSA-L |
| Instrument Name | Bruker IFS 85 |
| Synonyms | Sulfanilic acid->3-carbethoxy-1-(p-sulfophenyl)-5-pyrazolon |
| Technique | KBr-Pellet |