| SpectraBase Compound ID | AgyETD8DY57 |
|---|---|
| InChI | InChI=1S/C19H19NO/c1-14-7-9-17(10-8-14)20-18-11-16(12-19(21)13-18)15-5-3-2-4-6-15/h2-10,13,16,20H,11-12H2,1H3 |
| InChIKey | PUULLVSJRVFHAN-UHFFFAOYSA-N |
| Mol Weight | 277.37 g/mol |
| Molecular Formula | C19H19NO |
| Exact Mass | 277.146664 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A95GQdz8G0B |
|---|---|
| Name | 5-Phenyl-3-(4-toluidino)-2-cyclohexen-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.146664235 u |
| Formula | C19H19NO |
| InChI | InChI=1S/C19H19NO/c1-14-7-9-17(10-8-14)20-18-11-16(12-19(21)13-18)15-5-3-2-4-6-15/h2-10,13,16,20H,11-12H2,1H3 |
| InChIKey | PUULLVSJRVFHAN-UHFFFAOYSA-N |
| Molecular Weight | 277.367 g/mol |
| SMILES | N(C1=CC(=O)CC(C1)C=1C=CC=CC1)C=1C=CC(=CC1)C |