| SpectraBase Compound ID | 74iEaaZoXzT |
|---|---|
| InChI | InChI=1S/C11H8Cl2N2O/c1-15-11(13)9(6-16)10(14-15)7-2-4-8(12)5-3-7/h2-6H,1H3 |
| InChIKey | JHTCJVOSRZCISE-UHFFFAOYSA-N |
| Mol Weight | 255.1 g/mol |
| Molecular Formula | C11H8Cl2N2O |
| Exact Mass | 254.001368 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GnTW9vnqJZm |
|---|---|
| Name | 5-Chloro-3-(4-chlorophenyl)-1-methylpyrazole-4-carboxaldehyde |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.001368285 u |
| Formula | C11H8Cl2N2O |
| InChI | InChI=1S/C11H8Cl2N2O/c1-15-11(13)9(6-16)10(14-15)7-2-4-8(12)5-3-7/h2-6H,1H3 |
| InChIKey | JHTCJVOSRZCISE-UHFFFAOYSA-N |
| Molecular Weight | 255.104 g/mol |
| SMILES | C1(=C(N(C)N=C1C1=CC=C(C=C1)Cl)Cl)C=O |