| SpectraBase Compound ID | CNrx5OJzpru |
|---|---|
| InChI | InChI=1S/C18H14N2O4/c1-23-18(22)15-12-16(20(19-15)14-10-6-3-7-11-14)24-17(21)13-8-4-2-5-9-13/h2-12H,1H3 |
| InChIKey | XLLMTFNQZHWAKI-UHFFFAOYSA-N |
| Mol Weight | 322.32 g/mol |
| Molecular Formula | C18H14N2O4 |
| Exact Mass | 322.095357 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3b4M3CapzFZ |
|---|---|
| Name | Methyl 5-(benzoyloxy)-1-phenyl-1H-pyrazole-3-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.095356935 u |
| Formula | C18H14N2O4 |
| InChI | InChI=1S/C18H14N2O4/c1-23-18(22)15-12-16(20(19-15)14-10-6-3-7-11-14)24-17(21)13-8-4-2-5-9-13/h2-12H,1H3 |
| InChIKey | XLLMTFNQZHWAKI-UHFFFAOYSA-N |
| Molecular Weight | 322.320 g/mol |
| SMILES | C=1(N(N=C(C1)C(=O)OC)C=1C=CC=CC1)OC(=O)C1=CC=CC=C1 |