| SpectraBase Compound ID | 7H9To2aK8Vw |
|---|---|
| InChI | InChI=1S/C14H22ClN3O/c1-11-14(15)12(2)18(16-11)9-6-13(19)10-17-7-4-3-5-8-17/h3-10H2,1-2H3 |
| InChIKey | QBUPKJBGERBNDA-UHFFFAOYSA-N |
| Mol Weight | 283.8 g/mol |
| Molecular Formula | C14H22ClN3O |
| Exact Mass | 283.14514 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FIG9NDn8quT |
|---|---|
| Name | 4-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)-1-(1-piperidinyl)-2-butanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.145140039 u |
| Formula | C14H22ClN3O |
| InChI | InChI=1S/C14H22ClN3O/c1-11-14(15)12(2)18(16-11)9-6-13(19)10-17-7-4-3-5-8-17/h3-10H2,1-2H3 |
| InChIKey | QBUPKJBGERBNDA-UHFFFAOYSA-N |
| SMILES | C(CN1CCCCC1)(=O)CCN1N=C(C(=C1C)Cl)C |