| SpectraBase Compound ID | IV9pRw40oa0 |
|---|---|
| InChI | InChI=1S/C17H14N4O6S.2Na/c1-10-15(16(22)21(20-10)11-5-3-2-4-6-11)19-18-14-9-12(28(25,26)27)7-8-13(14)17(23)24;;/h2-9,22H,1H3,(H,23,24)(H,25,26,27);;/q;2*+1/p-2/b19-18+;; |
| InChIKey | BRYLDBKHSWCQTP-BUFQOAPZSA-L |
| Mol Weight | 446.34453856 g/mol |
| Molecular Formula | C17H12N4Na2O6S |
| Exact Mass | 446.027294 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 6aY4ch2sGje |
|---|---|
| Name | 4-Sulfoanthranilic acid->3-methyl-1-phenyl-5-pyrazolon |
| Copyright | Copyright © 1989, 1990-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C17H12N4Na2O6S |
| InChI | InChI=1S/C17H14N4O6S.2Na/c1-10-15(16(22)21(20-10)11-5-3-2-4-6-11)19-18-14-9-12(28(25,26)27)7-8-13(14)17(23)24;;/h2-9,22H,1H3,(H,23,24)(H,25,26,27);;/q;2*+1/p-2/b19-18+;; |
| InChIKey | BRYLDBKHSWCQTP-BUFQOAPZSA-L |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |