| SpectraBase Compound ID | CSfmDKGzvOB |
|---|---|
| InChI | InChI=1S/C23H21N5O6S2.Na/c1-15-8-9-18(14-21(15)35(30,31)27-17-6-4-3-5-7-17)24-25-22-16(2)26-28(23(22)29)19-10-12-20(13-11-19)36(32,33)34;/h3-14,27,29H,1-2H3,(H,32,33,34);/q;+1/p-1/b25-24+; |
| InChIKey | VKLQVFKYJGXGKQ-QREUMGABSA-M |
| Mol Weight | 549.55176928 g/mol |
| Molecular Formula | C23H20N5NaO6S2 |
| Exact Mass | 549.07527 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | G7PNZ1F6t2E |
|---|---|
| Name | 3-Methyl-1-(p-sulfophenyl)-5-pyrazolon |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C23H20N5NaO6S2 |
| InChI | InChI=1S/C23H21N5O6S2.Na/c1-15-8-9-18(14-21(15)35(30,31)27-17-6-4-3-5-7-17)24-25-22-16(2)26-28(23(22)29)19-10-12-20(13-11-19)36(32,33)34;/h3-14,27,29H,1-2H3,(H,32,33,34);/q;+1/p-1/b25-24+; |
| InChIKey | VKLQVFKYJGXGKQ-QREUMGABSA-M |
| Instrument Name | Bruker IFS 85 |
| Synonyms | 5-Amino-O-toluolsulfonanilide-> |
| Technique | KBr-Pellet |