| SpectraBase Compound ID | Es72jp8ICCy |
|---|---|
| InChI | InChI=1S/C16H13Cl2N5O3S.Na/c1-9-15(16(19)23(22-9)10-5-3-2-4-6-10)21-20-13-7-12(18)14(8-11(13)17)27(24,25)26;/h2-8H,19H2,1H3,(H,24,25,26);/q;+1/p-1/b21-20+; |
| InChIKey | OBXIFFBDSGAAGZ-ANVLNOONSA-M |
| Mol Weight | 448.25976928 g/mol |
| Molecular Formula | C16H12Cl2N5NaO3S |
| Exact Mass | 446.99356 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | LJXHyfvXbGh |
|---|---|
| Name | 1-Amino-2,5-dichlorobenzol-4-sulfonic acid->3-methyl-1-phenyl-5-aminopyrazol |
| CAS Registry Number | 55772-67-3 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C16H12Cl2N5NaO3S |
| InChI | InChI=1S/C16H13Cl2N5O3S.Na/c1-9-15(16(19)23(22-9)10-5-3-2-4-6-10)21-20-13-7-12(18)14(8-11(13)17)27(24,25)26;/h2-8H,19H2,1H3,(H,24,25,26);/q;+1/p-1/b21-20+; |
| InChIKey | OBXIFFBDSGAAGZ-ANVLNOONSA-M |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |