![3-[2-(4-Methoxyphenyl)ethyl]-2-benzopyran-1-one](/api/spectrum/A47y82ScTwO/structure.png?h=300&w=458 "3-[2-(4-Methoxyphenyl)ethyl]-2-benzopyran-1-one")
| SpectraBase Compound ID | 5UbRITik0mt |
|---|---|
| InChI | InChI=1S/C18H16O3/c1-20-15-9-6-13(7-10-15)8-11-16-12-14-4-2-3-5-17(14)18(19)21-16/h2-7,9-10,12H,8,11H2,1H3 |
| InChIKey | HHHJNLOIRQYLPP-UHFFFAOYSA-N |
| Mol Weight | 280.32 g/mol |
| Molecular Formula | C18H16O3 |
| Exact Mass | 280.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A47y82ScTwO |
|---|---|
| Name | 3-[2-(4-Methoxyphenyl)ethyl]-2-benzopyran-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.109944372 u |
| Formula | C18H16O3 |
| InChI | InChI=1S/C18H16O3/c1-20-15-9-6-13(7-10-15)8-11-16-12-14-4-2-3-5-17(14)18(19)21-16/h2-7,9-10,12H,8,11H2,1H3 |
| InChIKey | HHHJNLOIRQYLPP-UHFFFAOYSA-N |
| SMILES | C1(=O)OC(=CC=2C=CC=CC12)CCC=1C=CC(=CC1)OC |