![1-{4-[(2-methoxyphenoxy)methyl]benzoyl}-1H-pyrazole](/api/spectrum/4yPf6fTuIRH/structure.png?h=300&w=458 "1-{4-[(2-methoxyphenoxy)methyl]benzoyl}-1H-pyrazole")
| SpectraBase Compound ID | HFJUKfHS1ka |
|---|---|
| InChI | InChI=1S/C18H16N2O3/c1-22-16-5-2-3-6-17(16)23-13-14-7-9-15(10-8-14)18(21)20-12-4-11-19-20/h2-12H,13H2,1H3 |
| InChIKey | LKZMGCJEUUCNAL-UHFFFAOYSA-N |
| Mol Weight | 308.34 g/mol |
| Molecular Formula | C18H16N2O3 |
| Exact Mass | 308.116092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4yPf6fTuIRH |
|---|---|
| Name | 1-{4-[(2-Methoxyphenoxy)methyl]benzoyl}-1H-pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.116092380 u |
| Formula | C18H16N2O3 |
| InChI | InChI=1S/C18H16N2O3/c1-22-16-5-2-3-6-17(16)23-13-14-7-9-15(10-8-14)18(21)20-12-4-11-19-20/h2-12H,13H2,1H3 |
| InChIKey | LKZMGCJEUUCNAL-UHFFFAOYSA-N |
| Molecular Weight | 308.337 g/mol |
| SMILES | C1=CC=C(C(OCC2=CC=C(C(=O)N3N=CC=C3)C=C2)=C1)OC |