| SpectraBase Compound ID | JDI2w7QLPEH |
|---|---|
| InChI | InChI=1S/C21H23NO2/c1-14-19(17-10-6-4-7-11-17)22(16(3)23)20(15(2)21(14)24)18-12-8-5-9-13-18/h4-15,19-20H,1-3H3 |
| InChIKey | DTLNYYMPZSXLLM-UHFFFAOYSA-N |
| Mol Weight | 321.42 g/mol |
| Molecular Formula | C21H23NO2 |
| Exact Mass | 321.172879 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BJS0SWjpV0Q |
|---|---|
| Name | 1-Acetyl-3,5-dimethyl-2,5-diphenyl-4-piperidone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.172878983 u |
| Formula | C21H23NO2 |
| InChI | InChI=1S/C21H23NO2/c1-14-19(17-10-6-4-7-11-17)22(16(3)23)20(15(2)21(14)24)18-12-8-5-9-13-18/h4-15,19-20H,1-3H3 |
| InChIKey | DTLNYYMPZSXLLM-UHFFFAOYSA-N |
| Molecular Weight | 321.420 g/mol |
| SMILES | C(=O)(N1C(C(C(C(C1C=1C=CC=CC1)C)=O)C)C=1C=CC=CC1)C |