| SpectraBase Compound ID | DnfEbo8Ixka |
|---|---|
| InChI | InChI=1S/C12H11ClN2O2/c1-15-12(13)10(7-16)11(14-15)8-3-5-9(17-2)6-4-8/h3-7H,1-2H3 |
| InChIKey | SALUMYDSTLTGDT-UHFFFAOYSA-N |
| Mol Weight | 250.68 g/mol |
| Molecular Formula | C12H11ClN2O2 |
| Exact Mass | 250.050905 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BjGz8E6nfa5 |
|---|---|
| Name | 5-Chloranyl-3-(4-methoxyphenyl)-1-methyl-pyrazole-4-carbaldehyde |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.050905300 u |
| Formula | C12H11ClN2O2 |
| InChI | InChI=1S/C12H11ClN2O2/c1-15-12(13)10(7-16)11(14-15)8-3-5-9(17-2)6-4-8/h3-7H,1-2H3 |
| InChIKey | SALUMYDSTLTGDT-UHFFFAOYSA-N |
| Molecular Weight | 250.685 g/mol |
| SMILES | C1(=C(N(C)N=C1C1=CC=C(C=C1)OC)Cl)C=O |