| SpectraBase Compound ID | G3o6XvUgQL0 |
|---|---|
| InChI | InChI=1S/C10H9N3O4S/c1-8-2-4-10(5-3-8)18(16,17)12-7-9(6-11-12)13(14)15/h2-7H,1H3 |
| InChIKey | UQXTZCMKWNNBMG-UHFFFAOYSA-N |
| Mol Weight | 267.26 g/mol |
| Molecular Formula | C10H9N3O4S |
| Exact Mass | 267.031377 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4lhW2j5ep95 |
|---|---|
| Name | Pyrazole, 1-(4-methylphenylsulfonyl)-4-nitro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.031376952 u |
| Formula | C10H9N3O4S |
| InChI | InChI=1S/C10H9N3O4S/c1-8-2-4-10(5-3-8)18(16,17)12-7-9(6-11-12)13(14)15/h2-7H,1H3 |
| InChIKey | UQXTZCMKWNNBMG-UHFFFAOYSA-N |
| Molecular Weight | 267.259 g/mol |
| SMILES | CC1=CC=C(C=C1)S(N1C=C(N(=O)=O)C=N1)(=O)=O |