| SpectraBase Compound ID | DKxIatT4oBx |
|---|---|
| InChI | InChI=1S/C12H11ClN2/c1-8-11(9(2)15-14-8)7-10-5-3-4-6-12(10)13/h3-7H,1-2H3 |
| InChIKey | XZYDJXYJEPSJHH-UHFFFAOYSA-N |
| Mol Weight | 218.69 g/mol |
| Molecular Formula | C12H11ClN2 |
| Exact Mass | 218.061076 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9q5lI0Zff11 |
|---|---|
| Name | 4-(o-Chlorobenzylidene)-3,5-dimethyl-4H-pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.061076062 u |
| Formula | C12H11ClN2 |
| InChI | InChI=1S/C12H11ClN2/c1-8-11(9(2)15-14-8)7-10-5-3-4-6-12(10)13/h3-7H,1-2H3 |
| InChIKey | XZYDJXYJEPSJHH-UHFFFAOYSA-N |
| Molecular Weight | 218.687 g/mol |
| SMILES | C=1(Cl)C=CC=CC1C=C1C(C)=NN=C1C |