| SpectraBase Compound ID | GYQseShpDj |
|---|---|
| InChI | InChI=1S/C12H13ClN2/c1-9-7-10(2)15(14-9)8-11-5-3-4-6-12(11)13/h3-7H,8H2,1-2H3 |
| InChIKey | PXPUTDXELSBHAY-UHFFFAOYSA-N |
| Mol Weight | 220.7 g/mol |
| Molecular Formula | C12H13ClN2 |
| Exact Mass | 220.076726 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6s6zpjFqae7 |
|---|---|
| Name | 1-(2-Chlorobenzyl)-3,5-dimethyl-1H-pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.076726127 u |
| Formula | C12H13ClN2 |
| InChI | InChI=1S/C12H13ClN2/c1-9-7-10(2)15(14-9)8-11-5-3-4-6-12(11)13/h3-7H,8H2,1-2H3 |
| InChIKey | PXPUTDXELSBHAY-UHFFFAOYSA-N |
| Molecular Weight | 220.703 g/mol |
| SMILES | C1=CC=C(CN2N=C(C)C=C2C)C(Cl)=C1 |