| SpectraBase Compound ID | 8RA4CwrHvjn |
|---|---|
| InChI | InChI=1S/C10H10N2O4S/c1-7-6-10(13)12(11-7)8-2-4-9(5-3-8)17(14,15)16/h2-5H,6H2,1H3,(H,14,15,16) |
| InChIKey | CWJQQASJVVAXKL-UHFFFAOYSA-N |
| Mol Weight | 254.26 g/mol |
| Molecular Formula | C10H10N2O4S |
| Exact Mass | 254.036128 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5vCxghbmBoM |
|---|---|
| Name | p-(3-Methyl-5-oxo-2-pyrazolin-5-yl)benzenesulfonic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.036127980 u |
| Formula | C10H10N2O4S |
| InChI | InChI=1S/C10H10N2O4S/c1-7-6-10(13)12(11-7)8-2-4-9(5-3-8)17(14,15)16/h2-5H,6H2,1H3,(H,14,15,16) |
| InChIKey | CWJQQASJVVAXKL-UHFFFAOYSA-N |
| SMILES | OS(C=1C=CC(=CC1)N1N=C(CC1=O)C)(=O)=O |