| SpectraBase Compound ID | InelwRO03Bz |
|---|---|
| InChI | InChI=1S/C26H21Cl2N9O4S.Na/c1-15-22(23(38)37(35-15)20-11-7-6-10-18(20)27)34-33-19-14-16(12-13-21(19)42(39,40)41)29-25-30-24(28)31-26(32-25)36(2)17-8-4-3-5-9-17;/h3-14,38H,1-2H3,(H,39,40,41)(H,29,30,31,32);/q;+1/p-1/b34-33+; |
| InChIKey | WHNIJQAJMVWXBC-GGTLNOMSSA-M |
| Mol Weight | 648.46076928 g/mol |
| Molecular Formula | C26H20Cl2N9NaO4S |
| Exact Mass | 647.063371 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | IXGWeZBVSPl |
|---|---|
| Name | 2-Amino-4-(3-chloro-1-oxido-1,2,4-benzotriazin-7-carboxamido) benzolsulfonic acid->1-(6-chloro-o-tolyl)-3-methyl-5-pyrazolon |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C26H20Cl2N9NaO4S |
| InChI | InChI=1S/C26H21Cl2N9O4S.Na/c1-15-22(23(38)37(35-15)20-11-7-6-10-18(20)27)34-33-19-14-16(12-13-21(19)42(39,40)41)29-25-30-24(28)31-26(32-25)36(2)17-8-4-3-5-9-17;/h3-14,38H,1-2H3,(H,39,40,41)(H,29,30,31,32);/q;+1/p-1/b34-33+; |
| InChIKey | WHNIJQAJMVWXBC-GGTLNOMSSA-M |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |