| SpectraBase Compound ID | C7f1wlgc0OE |
|---|---|
| InChI | InChI=1S/C17H13ClN2O/c18-17-15(12-21)16(14-9-5-2-6-10-14)19-20(17)11-13-7-3-1-4-8-13/h1-10,12H,11H2 |
| InChIKey | GWINYVNEIVCTHP-UHFFFAOYSA-N |
| Mol Weight | 296.76 g/mol |
| Molecular Formula | C17H13ClN2O |
| Exact Mass | 296.071641 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8u3rIxjv2rg |
|---|---|
| Name | 1-Benzyl-5-chloro-3-phenyl-pyrazole-4-carbaldehyde |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.071640746 u |
| Formula | C17H13ClN2O |
| InChI | InChI=1S/C17H13ClN2O/c18-17-15(12-21)16(14-9-5-2-6-10-14)19-20(17)11-13-7-3-1-4-8-13/h1-10,12H,11H2 |
| InChIKey | GWINYVNEIVCTHP-UHFFFAOYSA-N |
| Molecular Weight | 296.757 g/mol |
| SMILES | C1(=C(N(CC2=CC=CC=C2)N=C1C=1C=CC=CC1)Cl)C=O |