| SpectraBase Compound ID | 7CeyoX0jZGp |
|---|---|
| InChI | InChI=1S/C17H15ClN2O/c18-15-8-6-14(7-9-15)16-10-11-20(19-16)17(21)12-13-4-2-1-3-5-13/h1-9H,10-12H2 |
| InChIKey | JRBGZPNPFJBDPW-UHFFFAOYSA-N |
| Mol Weight | 298.77 g/mol |
| Molecular Formula | C17H15ClN2O |
| Exact Mass | 298.087291 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BBI5I7S5JnB |
|---|---|
| Name | 3-(4-Chlorophenyl)-1-(phenylacetyl)-4,5-dihydro-1H-pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.087290810 u |
| Formula | C17H15ClN2O |
| InChI | InChI=1S/C17H15ClN2O/c18-15-8-6-14(7-9-15)16-10-11-20(19-16)17(21)12-13-4-2-1-3-5-13/h1-9H,10-12H2 |
| InChIKey | JRBGZPNPFJBDPW-UHFFFAOYSA-N |
| SMILES | C1=CC=C(CC(N2N=C(CC2)C2=CC=C(C=C2)Cl)=O)C=C1 |