| SpectraBase Compound ID | 5GEt67kI7Au |
|---|---|
| InChI | InChI=1S/C12H11ClN2O2/c1-2-17-12(16)11-7-8-15(14-11)10-5-3-9(13)4-6-10/h3-8H,2H2,1H3 |
| InChIKey | BXARJABSUGEGFH-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 | EeiRWKmCAOI |
|---|---|
| Name | Ethyl 1-p-chlorophenylpyrazole-3-carboxylate |
| 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/c1-2-17-12(16)11-7-8-15(14-11)10-5-3-9(13)4-6-10/h3-8H,2H2,1H3 |
| InChIKey | BXARJABSUGEGFH-UHFFFAOYSA-N |
| Molecular Weight | 250.685 g/mol |
| SMILES | C1(=NN(C=C1)C=1C=CC(=CC1)Cl)C(=O)OCC |