| SpectraBase Compound ID | IsSc4fLHnF3 |
|---|---|
| InChI | InChI=1S/C16H12N4O9S2.3Na/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;;;/h1-8,21H,(H,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3/b18-17+;;; |
| InChIKey | YXHBBEQKMVAJOH-GLCFPVLVSA-K |
| Mol Weight | 534.35630785 g/mol |
| Molecular Formula | C16H9N4Na3O9S2 |
| Exact Mass | 533.950403 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | GZyraxDkBNg |
|---|---|
| Name | 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-, trisodium salt |
| CAS Registry Number | 1934-21-0 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C16H9N4Na3O9S2 |
| InChI | InChI=1S/C16H12N4O9S2.3Na/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;;;/h1-8,21H,(H,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3/b18-17+;;; |
| InChIKey | YXHBBEQKMVAJOH-GLCFPVLVSA-K |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |