| SpectraBase Compound ID | Fh8GvCVVbrF |
|---|---|
| InChI | InChI=1S/C18H23NO/c1-2-3-7-12-18(16-10-5-4-6-11-16)13-8-9-15(14-19)17(18)20/h4-6,10-11,15H,2-3,7-9,12-13H2,1H3 |
| InChIKey | NDHXBIVWOXREAR-UHFFFAOYSA-N |
| Mol Weight | 269.39 g/mol |
| Molecular Formula | C18H23NO |
| Exact Mass | 269.177964 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AKv4OpqkrBj |
|---|---|
| Name | 2-oxo-3-Pentyl-3-phenylcyclohexanecarbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.177964364 u |
| Formula | C18H23NO |
| InChI | InChI=1S/C18H23NO/c1-2-3-7-12-18(16-10-5-4-6-11-16)13-8-9-15(14-19)17(18)20/h4-6,10-11,15H,2-3,7-9,12-13H2,1H3 |
| InChIKey | NDHXBIVWOXREAR-UHFFFAOYSA-N |
| SMILES | C1CC(C(C(C1)(CCCCC)C=1C=CC=CC1)=O)C#N |