![4,8-Dimethyl-7-[(2-oxocyclohexyl)oxy]-2H-chromen-2-one](/api/spectrum/6nZDUTNxo1r/structure.png?h=300&w=458 "4,8-Dimethyl-7-[(2-oxocyclohexyl)oxy]-2H-chromen-2-one")
| SpectraBase Compound ID | IVqOroj9iJg |
|---|---|
| InChI | InChI=1S/C17H18O4/c1-10-9-16(19)21-17-11(2)14(8-7-12(10)17)20-15-6-4-3-5-13(15)18/h7-9,15H,3-6H2,1-2H3 |
| InChIKey | WRTZCCCOMNOONZ-UHFFFAOYSA-N |
| Mol Weight | 286.33 g/mol |
| Molecular Formula | C17H18O4 |
| Exact Mass | 286.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6nZDUTNxo1r |
|---|---|
| Name | 4,8-Dimethyl-7-[(2-oxocyclohexyl)oxy]-2H-chromen-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.120509056 u |
| Formula | C17H18O4 |
| InChI | InChI=1S/C17H18O4/c1-10-9-16(19)21-17-11(2)14(8-7-12(10)17)20-15-6-4-3-5-13(15)18/h7-9,15H,3-6H2,1-2H3 |
| InChIKey | WRTZCCCOMNOONZ-UHFFFAOYSA-N |
| SMILES | C1(C=C(C2=CC=C(C(=C2O1)C)OC1C(CCCC1)=O)C)=O |