| SpectraBase Compound ID | K7vrD2neGX |
|---|---|
| InChI | InChI=1S/C20H18O4/c1-2-14(21)12-16(13-8-4-3-5-9-13)18-19(22)15-10-6-7-11-17(15)24-20(18)23/h3-11,16,22H,2,12H2,1H3 |
| InChIKey | RASSCOORIKAIIR-UHFFFAOYSA-N |
| Mol Weight | 322.36 g/mol |
| Molecular Formula | C20H18O4 |
| Exact Mass | 322.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 89z1NbvPU4D |
|---|---|
| Name | 4-Hydroxy-3-(3-oxo-1-phenylpentyl)chromen-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.120509056 u |
| Formula | C20H18O4 |
| InChI | InChI=1S/C20H18O4/c1-2-14(21)12-16(13-8-4-3-5-9-13)18-19(22)15-10-6-7-11-17(15)24-20(18)23/h3-11,16,22H,2,12H2,1H3 |
| InChIKey | RASSCOORIKAIIR-UHFFFAOYSA-N |
| Molecular Weight | 322.360 g/mol |
| SMILES | C1=CC=C2C(=C1)OC(=O)C(=C2O)C(CC(CC)=O)C1=CC=CC=C1 |