![1-[4-(4-Chlorophenyl)-5-ethanoyl-2,6-dimethyl-pyridin-3-yl]ethanone](/api/spectrum/GlZ0jPkL7YG/structure.png?h=300&w=458 "1-[4-(4-Chlorophenyl)-5-ethanoyl-2,6-dimethyl-pyridin-3-yl]ethanone")
| SpectraBase Compound ID | 4mNXKw0zSv4 |
|---|---|
| InChI | InChI=1S/C17H16ClNO2/c1-9-15(11(3)20)17(13-5-7-14(18)8-6-13)16(12(4)21)10(2)19-9/h5-8H,1-4H3 |
| InChIKey | SRNDSBDEHRFNQU-UHFFFAOYSA-N |
| Mol Weight | 301.77 g/mol |
| Molecular Formula | C17H16ClNO2 |
| Exact Mass | 301.086956 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GlZ0jPkL7YG |
|---|---|
| Name | 1-[4-(4-Chlorophenyl)-5-ethanoyl-2,6-dimethyl-pyridin-3-yl]ethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.086956457 u |
| Formula | C17H16ClNO2 |
| InChI | InChI=1S/C17H16ClNO2/c1-9-15(11(3)20)17(13-5-7-14(18)8-6-13)16(12(4)21)10(2)19-9/h5-8H,1-4H3 |
| InChIKey | SRNDSBDEHRFNQU-UHFFFAOYSA-N |
| SMILES | C=1(C(=C(C(=C(N1)C)C(=O)C)C=1C=CC(=CC1)Cl)C(=O)C)C |