| SpectraBase Compound ID | 6BbNW5uOZW1 |
|---|---|
| InChI | InChI=1S/C22H17Cl2N5O6S2.Na/c1-13-21(22(30)29(27-13)19-11-18(24)20(12-17(19)23)37(33,34)35)26-25-14-7-9-16(10-8-14)36(31,32)28-15-5-3-2-4-6-15;/h2-12,28,30H,1H3,(H,33,34,35);/q;+1/p-1/b26-25+; |
| InChIKey | XKBDIXCBSHYTMR-BTKVJIOYSA-M |
| Mol Weight | 604.41476928 g/mol |
| Molecular Formula | C22H16Cl2N5NaO6S2 |
| Exact Mass | 602.981675 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 4TynRNhnvjD |
|---|---|
| Name | Metanilanilide->1-(2,5-dichlor-4-sulfophenyl)-3-methyl-5-pyrazolon |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C22H16Cl2N5NaO6S2 |
| InChI | InChI=1S/C22H17Cl2N5O6S2.Na/c1-13-21(22(30)29(27-13)19-11-18(24)20(12-17(19)23)37(33,34)35)26-25-14-7-9-16(10-8-14)36(31,32)28-15-5-3-2-4-6-15;/h2-12,28,30H,1H3,(H,33,34,35);/q;+1/p-1/b26-25+; |
| InChIKey | XKBDIXCBSHYTMR-BTKVJIOYSA-M |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |