| SpectraBase Compound ID | Ctet2grEpHI |
|---|---|
| InChI | InChI=1S/C17H20O4/c1-4-5-6-20-13-7-11(2)17-15(19)9-14(8-12(3)18)21-16(17)10-13/h7,9-10H,4-6,8H2,1-3H3 |
| InChIKey | MTNYTLZPPIVOJA-UHFFFAOYSA-N |
| Mol Weight | 288.34 g/mol |
| Molecular Formula | C17H20O4 |
| Exact Mass | 288.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AIaURButGa6 |
|---|---|
| Name | 2-Acetonyl-7-butoxy-5-methyl-chromen-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.136159120 u |
| Formula | C17H20O4 |
| InChI | InChI=1S/C17H20O4/c1-4-5-6-20-13-7-11(2)17-15(19)9-14(8-12(3)18)21-16(17)10-13/h7,9-10H,4-6,8H2,1-3H3 |
| InChIKey | MTNYTLZPPIVOJA-UHFFFAOYSA-N |
| SMILES | C1(C2=C(C=C(C=C2C)OCCCC)OC(=C1)CC(=O)C)=O |