![1-{4-[(2-chlorophenoxy)methyl]benzoyl}-1H-pyrazole](/api/spectrum/F7ntXmGUol6/structure.png?h=300&w=458 "1-{4-[(2-chlorophenoxy)methyl]benzoyl}-1H-pyrazole")
| SpectraBase Compound ID | 2LtjykwoxM |
|---|---|
| InChI | InChI=1S/C17H13ClN2O2/c18-15-4-1-2-5-16(15)22-12-13-6-8-14(9-7-13)17(21)20-11-3-10-19-20/h1-11H,12H2 |
| InChIKey | GXNRLGRBFZODMT-UHFFFAOYSA-N |
| Mol Weight | 312.76 g/mol |
| Molecular Formula | C17H13ClN2O2 |
| Exact Mass | 312.066555 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F7ntXmGUol6 |
|---|---|
| Name | 1-{4-[(2-Chlorophenoxy)methyl]benzoyl}-1H-pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.066555365 u |
| Formula | C17H13ClN2O2 |
| InChI | InChI=1S/C17H13ClN2O2/c18-15-4-1-2-5-16(15)22-12-13-6-8-14(9-7-13)17(21)20-11-3-10-19-20/h1-11H,12H2 |
| InChIKey | GXNRLGRBFZODMT-UHFFFAOYSA-N |
| Molecular Weight | 312.756 g/mol |
| SMILES | C1=CC=C(OCC=2C=CC(C(N3N=CC=C3)=O)=CC2)C(Cl)=C1 |