| SpectraBase Compound ID | KpFByEdpwdQ |
|---|---|
| InChI | InChI=1S/C20H18Cl2N4O6S.Na/c1-4-32-20(28)17-16(24-23-15-10(2)6-5-7-13(15)21)19(27)26(25-17)18-11(3)8-12(9-14(18)22)33(29,30)31;/h5-9,27H,4H2,1-3H3,(H,29,30,31);/q;+1/p-1/b24-23+; |
| InChIKey | ZACGXTRZAJIKHR-XMXXDQCKSA-M |
| Mol Weight | 535.33376928 g/mol |
| Molecular Formula | C20H17Cl2N4NaO6S |
| Exact Mass | 534.014355 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | ClgBhYCgaIt |
|---|---|
| Name | 6-Chloro-o-toluidine->3-carbethoxy-1-(6-chloro-4-sulfo-o-tolyl)-5-pyrazolon |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C20H17Cl2N4NaO6S |
| InChI | InChI=1S/C20H18Cl2N4O6S.Na/c1-4-32-20(28)17-16(24-23-15-10(2)6-5-7-13(15)21)19(27)26(25-17)18-11(3)8-12(9-14(18)22)33(29,30)31;/h5-9,27H,4H2,1-3H3,(H,29,30,31);/q;+1/p-1/b24-23+; |
| InChIKey | ZACGXTRZAJIKHR-XMXXDQCKSA-M |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |