| SpectraBase Compound ID | DCpbQl5UYpZ |
|---|---|
| InChI | InChI=1S/C22H18ClN5O6S2.Na/c1-14-21(22(29)28(26-14)20-13-18(36(32,33)34)11-12-19(20)23)25-24-15-7-9-17(10-8-15)35(30,31)27-16-5-3-2-4-6-16;/h2-13,27,29H,1H3,(H,32,33,34);/q;+1/p-1/b25-24+; |
| InChIKey | HTOFYUFJOFGDQQ-QREUMGABSA-M |
| Mol Weight | 569.96976928 g/mol |
| Molecular Formula | C22H17ClN5NaO6S2 |
| Exact Mass | 569.020648 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | Fzr2VC0rqDf |
|---|---|
| Name | 1-(2-Chloro-5-sulfophenyl)-3-methyl-5-pyrazolon |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C22H17ClN5NaO6S2 |
| InChI | InChI=1S/C22H18ClN5O6S2.Na/c1-14-21(22(29)28(26-14)20-13-18(36(32,33)34)11-12-19(20)23)25-24-15-7-9-17(10-8-15)35(30,31)27-16-5-3-2-4-6-16;/h2-13,27,29H,1H3,(H,32,33,34);/q;+1/p-1/b25-24+; |
| InChIKey | HTOFYUFJOFGDQQ-QREUMGABSA-M |
| Instrument Name | Bruker IFS 85 |
| Synonyms | Metanilanilide-> |
| Technique | KBr-Pellet |