![1-[p-Methoxyphenyl]-4-[2-quinolyl]-1,3-butanedione](/api/spectrum/A8WxT9JjEmy/structure.png?h=300&w=458 "1-[p-Methoxyphenyl]-4-[2-quinolyl]-1,3-butanedione")
| SpectraBase Compound ID | 9qVQhUsFX4m |
|---|---|
| InChI | InChI=1S/C20H17NO3/c1-24-18-10-7-15(8-11-18)20(23)13-17(22)12-16-9-6-14-4-2-3-5-19(14)21-16/h2-11H,12-13H2,1H3 |
| InChIKey | VKWCFBGXLZTICS-UHFFFAOYSA-N |
| Mol Weight | 319.36 g/mol |
| Molecular Formula | C20H17NO3 |
| Exact Mass | 319.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A8WxT9JjEmy |
|---|---|
| Name | 1-[p-Methoxyphenyl]-4-[2-quinolyl]-1,3-butanedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.120843408 u |
| Formula | C20H17NO3 |
| InChI | InChI=1S/C20H17NO3/c1-24-18-10-7-15(8-11-18)20(23)13-17(22)12-16-9-6-14-4-2-3-5-19(14)21-16/h2-11H,12-13H2,1H3 |
| InChIKey | VKWCFBGXLZTICS-UHFFFAOYSA-N |
| Molecular Weight | 319.360 g/mol |
| SMILES | C1=CC=C2C(=C1)C=CC(=N2)CC(CC(C1=CC=C(C=C1)OC)=O)=O |