![1-[(4-chlorophenyl)sulfonyl]-1H-pyrazole](/api/spectrum/AALdTiPXgzK/structure.png?h=300&w=458 "1-[(4-chlorophenyl)sulfonyl]-1H-pyrazole")
| SpectraBase Compound ID | GmlfOa4ra9o |
|---|---|
| InChI | InChI=1S/C9H7ClN2O2S/c10-8-2-4-9(5-3-8)15(13,14)12-7-1-6-11-12/h1-7H |
| InChIKey | AYQMMNWNYNETKI-UHFFFAOYSA-N |
| Mol Weight | 242.68 g/mol |
| Molecular Formula | C9H7ClN2O2S |
| Exact Mass | 241.991676 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AALdTiPXgzK |
|---|---|
| Name | 1-[(4-Chlorophenyl)sulfonyl]-1H-pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.991676345 u |
| Formula | C9H7ClN2O2S |
| InChI | InChI=1S/C9H7ClN2O2S/c10-8-2-4-9(5-3-8)15(13,14)12-7-1-6-11-12/h1-7H |
| InChIKey | AYQMMNWNYNETKI-UHFFFAOYSA-N |
| Molecular Weight | 242.680 g/mol |
| SMILES | C=1C(Cl)=CC=C(S(N2N=CC=C2)(=O)=O)C1 |