![2-[(5,5-Dimethyl-3-oxo-1-cyclohexen-1-yl)amino]benzonitrile](/api/spectrum/CEhO2YWSEiT/structure.png?h=300&w=458 "2-[(5,5-Dimethyl-3-oxo-1-cyclohexen-1-yl)amino]benzonitrile")
| SpectraBase Compound ID | LB3R10J4rqz |
|---|---|
| InChI | InChI=1S/C15H16N2O/c1-15(2)8-12(7-13(18)9-15)17-14-6-4-3-5-11(14)10-16/h3-7,17H,8-9H2,1-2H3 |
| InChIKey | IXPVVOPDXTXQOP-UHFFFAOYSA-N |
| Mol Weight | 240.31 g/mol |
| Molecular Formula | C15H16N2O |
| Exact Mass | 240.126263 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CEhO2YWSEiT |
|---|---|
| Name | 2-[(5,5-Dimethyl-3-oxo-1-cyclohexen-1-yl)amino]benzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.126263142 u |
| Formula | C15H16N2O |
| InChI | InChI=1S/C15H16N2O/c1-15(2)8-12(7-13(18)9-15)17-14-6-4-3-5-11(14)10-16/h3-7,17H,8-9H2,1-2H3 |
| InChIKey | IXPVVOPDXTXQOP-UHFFFAOYSA-N |
| Molecular Weight | 240.306 g/mol |
| SMILES | C1(=CC(=O)CC(C1)(C)C)NC1=CC=CC=C1C#N |