| SpectraBase Compound ID | G3aANC5djz0 |
|---|---|
| InChI | InChI=1S/C19H18N2O2/c1-13-8-7-9-15(12-13)18-17(19(22)23-3)14(2)21(20-18)16-10-5-4-6-11-16/h4-12H,1-3H3 |
| InChIKey | PNFJNADYTLJASY-UHFFFAOYSA-N |
| Mol Weight | 306.37 g/mol |
| Molecular Formula | C19H18N2O2 |
| Exact Mass | 306.136828 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 55sPlCbAfUt |
|---|---|
| Name | Methyl 5-methyl-1-phenyl-3-(m-tolyl)-1H-pyrazole-4-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.136827826 u |
| Formula | C19H18N2O2 |
| InChI | InChI=1S/C19H18N2O2/c1-13-8-7-9-15(12-13)18-17(19(22)23-3)14(2)21(20-18)16-10-5-4-6-11-16/h4-12H,1-3H3 |
| InChIKey | PNFJNADYTLJASY-UHFFFAOYSA-N |
| Molecular Weight | 306.365 g/mol |
| SMILES | C1(=NN(C(=C1C(OC)=O)C)C=1C=CC=CC1)C1=CC(=CC=C1)C |