![1-[5-Acetyl-4-(4-methoxyphenyl)-2,6-dimethyl-3-pyridinyl]ethanone](/api/spectrum/Hrxck2V6UDA/structure.png?h=300&w=458 "1-[5-Acetyl-4-(4-methoxyphenyl)-2,6-dimethyl-3-pyridinyl]ethanone")
| SpectraBase Compound ID | GqyqOPH0vpd |
|---|---|
| InChI | InChI=1S/C18H19NO3/c1-10-16(12(3)20)18(17(13(4)21)11(2)19-10)14-6-8-15(22-5)9-7-14/h6-9H,1-5H3 |
| InChIKey | XMFHQVXGRZIDQP-UHFFFAOYSA-N |
| Mol Weight | 297.35 g/mol |
| Molecular Formula | C18H19NO3 |
| Exact Mass | 297.136493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hrxck2V6UDA |
|---|---|
| Name | 1-[5-Acetyl-4-(4-methoxyphenyl)-2,6-dimethyl-3-pyridinyl]ethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.136493473 u |
| Formula | C18H19NO3 |
| InChI | InChI=1S/C18H19NO3/c1-10-16(12(3)20)18(17(13(4)21)11(2)19-10)14-6-8-15(22-5)9-7-14/h6-9H,1-5H3 |
| InChIKey | XMFHQVXGRZIDQP-UHFFFAOYSA-N |
| Molecular Weight | 297.354 g/mol |
| SMILES | C=1(C(=C(C(=C(N1)C)C(=O)C)C=1C=CC(=CC1)OC)C(=O)C)C |