| SpectraBase Compound ID | EjOXKH5SMGI |
|---|---|
| InChI | InChI=1S/C16H13ClN2O/c1-11-9-16(20)13(10-14(11)17)15-7-8-18-19(15)12-5-3-2-4-6-12/h2-10,20H,1H3 |
| InChIKey | MMOWXHKNQZKRGK-UHFFFAOYSA-N |
| Mol Weight | 284.75 g/mol |
| Molecular Formula | C16H13ClN2O |
| Exact Mass | 284.071641 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3YPexZvCRj5 |
|---|---|
| Name | 5-(5-Chloro-2-hydroxy-4-methylphenyl)-1-phenylpyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.071640746 u |
| Formula | C16H13ClN2O |
| InChI | InChI=1S/C16H13ClN2O/c1-11-9-16(20)13(10-14(11)17)15-7-8-18-19(15)12-5-3-2-4-6-12/h2-10,20H,1H3 |
| InChIKey | MMOWXHKNQZKRGK-UHFFFAOYSA-N |
| SMILES | C1(Cl)=C(C=C(C(=C1)C1=CC=NN1C1=CC=CC=C1)O)C |