![3-{[2-(4-Methoxyphenyl)ethyl]amino}-5,5-dimethyl-2-cyclohexen-1-one](/api/spectrum/6bgmHUhDMX9/structure.png?h=300&w=458 "3-{[2-(4-Methoxyphenyl)ethyl]amino}-5,5-dimethyl-2-cyclohexen-1-one")
| SpectraBase Compound ID | GwfJ5LY5a5I |
|---|---|
| InChI | InChI=1S/C17H23NO2/c1-17(2)11-14(10-15(19)12-17)18-9-8-13-4-6-16(20-3)7-5-13/h4-7,10,18H,8-9,11-12H2,1-3H3 |
| InChIKey | CYIBANLEFHOOJL-UHFFFAOYSA-N |
| Mol Weight | 273.38 g/mol |
| Molecular Formula | C17H23NO2 |
| Exact Mass | 273.172879 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6bgmHUhDMX9 |
|---|---|
| Name | 3-{[2-(4-Methoxyphenyl)ethyl]amino}-5,5-dimethyl-2-cyclohexen-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.172878983 u |
| Formula | C17H23NO2 |
| InChI | InChI=1S/C17H23NO2/c1-17(2)11-14(10-15(19)12-17)18-9-8-13-4-6-16(20-3)7-5-13/h4-7,10,18H,8-9,11-12H2,1-3H3 |
| InChIKey | CYIBANLEFHOOJL-UHFFFAOYSA-N |
| Molecular Weight | 273.376 g/mol |
| SMILES | N(C1=CC(=O)CC(C)(C)C1)CCC=1C=CC(=CC1)OC |