| SpectraBase Compound ID | 2IAATAYH9dy |
|---|---|
| InChI | InChI=1S/C16H12N4O9S2.2C6H13N/c21-15-13(18-17-9-5-1-3-7-11(9)30(24,25)26)14(16(22)23)19-20(15)10-6-2-4-8-12(10)31(27,28)29;2*7-6-4-2-1-3-5-6/h1-8,21H,(H,22,23)(H,24,25,26)(H,27,28,29);2*6H,1-5,7H2/b18-17+;; |
| InChIKey | YYKGYQPKNCRVAZ-QIKYXUGXSA-N |
| Mol Weight | 666.77 g/mol |
| Molecular Formula | C28H38N6O9S2 |
| Exact Mass | 666.214169 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | KBYh3PPnhjN |
|---|---|
| Name | o-Aminobenzolsulfonacid->3-carboxy-1-(2-sulfophenyl)-5-pyrazolon/dicyclohexylamine salt |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C28H38N6O9S2 |
| InChI | InChI=1S/C16H12N4O9S2.2C6H13N/c21-15-13(18-17-9-5-1-3-7-11(9)30(24,25)26)14(16(22)23)19-20(15)10-6-2-4-8-12(10)31(27,28)29;2*7-6-4-2-1-3-5-6/h1-8,21H,(H,22,23)(H,24,25,26)(H,27,28,29);2*6H,1-5,7H2/b18-17+;; |
| InChIKey | YYKGYQPKNCRVAZ-QIKYXUGXSA-N |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |