| SpectraBase Compound ID | 1MO0SekbpC3 |
|---|---|
| InChI | InChI=1S/C13H11ClN2O4/c1-19-12(17)10-7-15-16(11(10)13(18)20-2)9-5-3-8(14)4-6-9/h3-7H,1-2H3 |
| InChIKey | HZQGTXXNUVFXPY-UHFFFAOYSA-N |
| Mol Weight | 294.69 g/mol |
| Molecular Formula | C13H11ClN2O4 |
| Exact Mass | 294.040735 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DYihNH97IJa |
|---|---|
| Name | 3,4-Dimethyl 2-(4-chlorophenyl)pyrazole-3,4-dicarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.040734538 u |
| Formula | C13H11ClN2O4 |
| InChI | InChI=1S/C13H11ClN2O4/c1-19-12(17)10-7-15-16(11(10)13(18)20-2)9-5-3-8(14)4-6-9/h3-7H,1-2H3 |
| InChIKey | HZQGTXXNUVFXPY-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(C=C1)N1C(C(OC)=O)=C(C(OC)=O)C=N1)Cl |