| SpectraBase Compound ID | 1oBNuWXx7U3 |
|---|---|
| InChI | InChI=1S/C11H8ClN3O/c1-15-11(16)9(6-13)10(14-15)7-2-4-8(12)5-3-7/h2-5,16H,1H3 |
| InChIKey | CCOURMSNIXZDEJ-UHFFFAOYSA-N |
| Mol Weight | 233.66 g/mol |
| Molecular Formula | C11H8ClN3O |
| Exact Mass | 233.03559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Q1lG1UecCk |
|---|---|
| Name | 3-(4-Chlorophenyl)-4-yano-5-hydroxy-1-methyl-pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.035589589 u |
| Formula | C11H8ClN3O |
| InChI | InChI=1S/C11H8ClN3O/c1-15-11(16)9(6-13)10(14-15)7-2-4-8(12)5-3-7/h2-5,16H,1H3 |
| InChIKey | CCOURMSNIXZDEJ-UHFFFAOYSA-N |
| Molecular Weight | 233.658 g/mol |
| SMILES | C1(=C(N(C)N=C1C=1C=CC(=CC1)Cl)O)C#N |