| SpectraBase Compound ID | EnbDo8GToi6 |
|---|---|
| InChI | InChI=1S/C20H16N2O2/c1-2-24-20(23)18-15-21-22(17-11-7-4-8-12-17)19(18)14-13-16-9-5-3-6-10-16/h3-12,15H,2H2,1H3 |
| InChIKey | LRZCPEDUUYTIHB-UHFFFAOYSA-N |
| Mol Weight | 316.36 g/mol |
| Molecular Formula | C20H16N2O2 |
| Exact Mass | 316.121178 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LeQyyGjDzWB |
|---|---|
| Name | Ethyl 1-phenyl-5-(phenylethynyl)-1H-pyrazole-4-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.121177761 u |
| Formula | C20H16N2O2 |
| InChI | InChI=1S/C20H16N2O2/c1-2-24-20(23)18-15-21-22(17-11-7-4-8-12-17)19(18)14-13-16-9-5-3-6-10-16/h3-12,15H,2H2,1H3 |
| InChIKey | LRZCPEDUUYTIHB-UHFFFAOYSA-N |
| Molecular Weight | 316.360 g/mol |
| SMILES | C1(=C(C=NN1C=1C=CC=CC1)C(=O)OCC)C#CC=1C=CC=CC1 |