![3-{2-[(p-Chlorophenyl)thio]-5-nitrophenyl}pyrazole](/api/spectrum/1lfH6EAqDuu/structure.png?h=300&w=458 "3-{2-[(p-Chlorophenyl)thio]-5-nitrophenyl}pyrazole")
| SpectraBase Compound ID | HaTIqgBdZg0 |
|---|---|
| InChI | InChI=1S/C15H10ClN3O2S/c16-10-1-4-12(5-2-10)22-15-6-3-11(19(20)21)9-13(15)14-7-8-17-18-14/h1-9H,(H,17,18) |
| InChIKey | LIBXZDSGZNWMMP-UHFFFAOYSA-N |
| Mol Weight | 331.78 g/mol |
| Molecular Formula | C15H10ClN3O2S |
| Exact Mass | 331.018225 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1lfH6EAqDuu |
|---|---|
| Name | 3-{2-[(p-Chlorophenyl)thio]-5-nitrophenyl}pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.018225446 u |
| Formula | C15H10ClN3O2S |
| InChI | InChI=1S/C15H10ClN3O2S/c16-10-1-4-12(5-2-10)22-15-6-3-11(19(20)21)9-13(15)14-7-8-17-18-14/h1-9H,(H,17,18) |
| InChIKey | LIBXZDSGZNWMMP-UHFFFAOYSA-N |
| Molecular Weight | 331.777 g/mol |
| SMILES | N1C=CC(C=2C(=CC=C(C2)N(=O)=O)SC=2C=CC(=CC2)Cl)=N1 |