| SpectraBase Compound ID | Lm9mV6xl4XQ |
|---|---|
| InChI | InChI=1S/C11H8Cl2N2O2/c1-17-11(16)10-5-9(14-15-10)7-3-2-6(12)4-8(7)13/h2-5H,1H3,(H,14,15) |
| InChIKey | KHJJAYIZQBZPRW-UHFFFAOYSA-N |
| Mol Weight | 271.1 g/mol |
| Molecular Formula | C11H8Cl2N2O2 |
| Exact Mass | 269.996283 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DFGgiW1yDij |
|---|---|
| Name | Methyl 3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.996282904 u |
| Formula | C11H8Cl2N2O2 |
| InChI | InChI=1S/C11H8Cl2N2O2/c1-17-11(16)10-5-9(14-15-10)7-3-2-6(12)4-8(7)13/h2-5H,1H3,(H,14,15) |
| InChIKey | KHJJAYIZQBZPRW-UHFFFAOYSA-N |
| SMILES | C1(Cl)=C(C=CC(=C1)Cl)C1=NNC(=C1)C(=O)OC |