| SpectraBase Compound ID | HcwE7Q5sKa8 |
|---|---|
| InChI | InChI=1S/C16H21NO/c1-16(2)10-14(9-15(18)11-16)17(3)12-13-7-5-4-6-8-13/h4-9H,10-12H2,1-3H3 |
| InChIKey | VJWPKNYMNRDIHA-UHFFFAOYSA-N |
| Mol Weight | 243.35 g/mol |
| Molecular Formula | C16H21NO |
| Exact Mass | 243.162314 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JZzDcaHoyPF |
|---|---|
| Name | 3-(Benzylmethylamino)-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 | 243.162314299 u |
| Formula | C16H21NO |
| InChI | InChI=1S/C16H21NO/c1-16(2)10-14(9-15(18)11-16)17(3)12-13-7-5-4-6-8-13/h4-9H,10-12H2,1-3H3 |
| InChIKey | VJWPKNYMNRDIHA-UHFFFAOYSA-N |
| Molecular Weight | 243.350 g/mol |
| SMILES | C1=C(CC(CC1=O)(C)C)N(CC=1C=CC=CC1)C |