![Benzenesulfonic acid, 3-chloro-4-[4,5-dihydro-3-methyl-5-oxo- 6-[(4-sulfophenyl)azo]-1H-pyrazol-1-yl]-5-methyl-, disodium salt](/api/spectrum/6NevK1Ne1hv/structure.png?h=300&w=458 "Benzenesulfonic acid, 3-chloro-4-[4,5-dihydro-3-methyl-5-oxo- 6-[(4-sulfophenyl)azo]-1H-pyrazol-1-yl]-5-methyl-, disodium salt")
| SpectraBase Compound ID | 1GYF2TRAwAi |
|---|---|
| InChI | InChI=1S/C17H15ClN4O7S2.2Na/c1-9-7-13(31(27,28)29)8-14(18)16(9)22-17(23)15(10(2)21-22)20-19-11-3-5-12(6-4-11)30(24,25)26;;/h3-8,23H,1-2H3,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2/b20-19+;; |
| InChIKey | WRJZUGHPWBPSRA-LLIZZRELSA-L |
| Mol Weight | 530.86453856 g/mol |
| Molecular Formula | C17H13ClN4Na2O7S2 |
| Exact Mass | 529.970957 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 6NevK1Ne1hv |
|---|---|
| Name | Benzenesulfonic acid, 3-chloro-4-[4,5-dihydro-3-methyl-5-oxo- 6-[(4-sulfophenyl)azo]-1H-pyrazol-1-yl]-5-methyl-, disodium salt |
| CAS Registry Number | 6359-54-2 |
| Copyright | Copyright © 1989, 1990-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C17H13ClN4Na2O7S2 |
| InChI | InChI=1S/C17H15ClN4O7S2.2Na/c1-9-7-13(31(27,28)29)8-14(18)16(9)22-17(23)15(10(2)21-22)20-19-11-3-5-12(6-4-11)30(24,25)26;;/h3-8,23H,1-2H3,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2/b20-19+;; |
| InChIKey | WRJZUGHPWBPSRA-LLIZZRELSA-L |
| Instrument Name | Bruker IFS 85 |
| Synonyms | Sulfanilic acid->1-(6-chlor-4-sulfo-o-tolyl)-3-methyl-5-pyrazolon |
| Technique | KBr-Pellet |