| SpectraBase Compound ID | 4luLi4X8bTF |
|---|---|
| InChI | InChI=1S/C16H19ClN2O2/c17-13-9-5-4-8-12(13)14-10-15(21-19-14)16(20)18-11-6-2-1-3-7-11/h4-5,8-9,11,15H,1-3,6-7,10H2,(H,18,20) |
| InChIKey | WAJAEEQUVGNFAZ-UHFFFAOYSA-N |
| Mol Weight | 306.79 g/mol |
| Molecular Formula | C16H19ClN2O2 |
| Exact Mass | 306.113506 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FufVXZG80Yn |
|---|---|
| Name | 5-Isoxazolecarboxamide, 3-(2-chlorophenyl)-N-cyclohexyl-4,5-dihydro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.113505558 u |
| Formula | C16H19ClN2O2 |
| InChI | InChI=1S/C16H19ClN2O2/c17-13-9-5-4-8-12(13)14-10-15(21-19-14)16(20)18-11-6-2-1-3-7-11/h4-5,8-9,11,15H,1-3,6-7,10H2,(H,18,20) |
| InChIKey | WAJAEEQUVGNFAZ-UHFFFAOYSA-N |
| SMILES | N(C(C1ON=C(C1)C1=C(Cl)C=CC=C1)=O)C1CCCCC1 |