| SpectraBase Compound ID | 7YqI6UaqRj1 |
|---|---|
| InChI | InChI=1S/C11H12ClN3O/c12-8-11(16)13-10-6-7-15(14-10)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,14,16) |
| InChIKey | RJYNDTQQAFHGLS-UHFFFAOYSA-N |
| Mol Weight | 237.69 g/mol |
| Molecular Formula | C11H12ClN3O |
| Exact Mass | 237.06689 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6X7OLEt9GbC |
|---|---|
| Name | Acetamide, 2-chloro-N-(4,5-dihydro-1-phenyl-1H-pyrazol-3-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.066889717 u |
| Formula | C11H12ClN3O |
| InChI | InChI=1S/C11H12ClN3O/c12-8-11(16)13-10-6-7-15(14-10)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,14,16) |
| InChIKey | RJYNDTQQAFHGLS-UHFFFAOYSA-N |
| Molecular Weight | 237.690 g/mol |
| SMILES | C(C(NC=1CCN(N1)C1=CC=CC=C1)=O)Cl |