| SpectraBase Compound ID | ABL4P0IJZaY |
|---|---|
| InChI | InChI=1S/C18H16N4O9S2.3Na/c1-9-7-10(2)14(13(8-9)33(29,30)31)19-20-15-16(18(24)25)21-22(17(15)23)11-3-5-12(6-4-11)32(26,27)28;;;/h3-8,23H,1-2H3,(H,24,25)(H,26,27,28)(H,29,30,31);;;/q;3*+1/p-3/b20-19+;;; |
| InChIKey | ZXFOUOHLKJSOCZ-HVARVCSCSA-K |
| Mol Weight | 562.41030785 g/mol |
| Molecular Formula | C18H13N4Na3O9S2 |
| Exact Mass | 561.981703 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | FqIcqGR77Wu |
|---|---|
| Name | 2-Amino-3,5-xylolsulfonic acid->3-carboxy-1-(p-sulfophenyl)-5-pyrazolon/tri-Na salt |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C18H13N4Na3O9S2 |
| InChI | InChI=1S/C18H16N4O9S2.3Na/c1-9-7-10(2)14(13(8-9)33(29,30)31)19-20-15-16(18(24)25)21-22(17(15)23)11-3-5-12(6-4-11)32(26,27)28;;;/h3-8,23H,1-2H3,(H,24,25)(H,26,27,28)(H,29,30,31);;;/q;3*+1/p-3/b20-19+;;; |
| InChIKey | ZXFOUOHLKJSOCZ-HVARVCSCSA-K |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |