| SpectraBase Compound ID | H548DmPQQ3a |
|---|---|
| InChI | InChI=1S/C15H20O3/c1-9(2)17-11-6-10(3)14-12(16)8-15(4,5)18-13(14)7-11/h6-7,9H,8H2,1-5H3 |
| InChIKey | JJKKCNFCFIXHLO-UHFFFAOYSA-N |
| Mol Weight | 248.32 g/mol |
| Molecular Formula | C15H20O3 |
| Exact Mass | 248.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9nTvysDISmR |
|---|---|
| Name | 7-(Isopropoxy)-2,2,5-trimethyl-4-chromanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.141244501 u |
| Formula | C15H20O3 |
| InChI | InChI=1S/C15H20O3/c1-9(2)17-11-6-10(3)14-12(16)8-15(4,5)18-13(14)7-11/h6-7,9H,8H2,1-5H3 |
| InChIKey | JJKKCNFCFIXHLO-UHFFFAOYSA-N |
| Molecular Weight | 248.322 g/mol |
| SMILES | C1(CC(C=2C(=CC(=CC2O1)OC(C)C)C)=O)(C)C |