| SpectraBase Compound ID | JSwBnf2p5qa |
|---|---|
| InChI | InChI=1S/C17H16O3/c1-2-19-13-9-7-12(8-10-13)17-11-15(18)14-5-3-4-6-16(14)20-17/h3-10,17H,2,11H2,1H3 |
| InChIKey | AXVRFLFJVIBNRQ-UHFFFAOYSA-N |
| Mol Weight | 268.31 g/mol |
| Molecular Formula | C17H16O3 |
| Exact Mass | 268.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6MSYu6NXT5a |
|---|---|
| Name | 4H-1-Benzopyran-4-one, 2-(4-ethoxyphenyl)-2,3-dihydro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.109944372 u |
| Formula | C17H16O3 |
| InChI | InChI=1S/C17H16O3/c1-2-19-13-9-7-12(8-10-13)17-11-15(18)14-5-3-4-6-16(14)20-17/h3-10,17H,2,11H2,1H3 |
| InChIKey | AXVRFLFJVIBNRQ-UHFFFAOYSA-N |
| Molecular Weight | 268.312 g/mol |
| SMILES | C1(=O)CC(OC2=C1C=CC=C2)C1=CC=C(C=C1)OCC |