| SpectraBase Compound ID | 89zKzKFMpZn |
|---|---|
| InChI | InChI=1S/C16H13ClN2/c1-12-11-16(13-7-9-14(17)10-8-13)19(18-12)15-5-3-2-4-6-15/h2-11H,1H3 |
| InChIKey | KVDGKSFSDITVBU-UHFFFAOYSA-N |
| Mol Weight | 268.75 g/mol |
| Molecular Formula | C16H13ClN2 |
| Exact Mass | 268.076726 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KGYOj8hHc4T |
|---|---|
| Name | 1H-Pyrazole, 5-(4-chlorophenyl)-3-methyl-1-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.076726127 u |
| Formula | C16H13ClN2 |
| InChI | InChI=1S/C16H13ClN2/c1-12-11-16(13-7-9-14(17)10-8-13)19(18-12)15-5-3-2-4-6-15/h2-11H,1H3 |
| InChIKey | KVDGKSFSDITVBU-UHFFFAOYSA-N |
| Molecular Weight | 268.747 g/mol |
| SMILES | C=1(N(N=C(C1)C)C=1C=CC=CC1)C1=CC=C(C=C1)Cl |