| SpectraBase Compound ID | 7CIxdsKcmeL |
|---|---|
| InChI | InChI=1S/C18H22O3/c1-5-14(19)18-15(20)8-13(9-16(18)21)17-11(3)6-10(2)7-12(17)4/h6-7,13,20H,5,8-9H2,1-4H3 |
| InChIKey | HBXUKEYLLIXGAE-UHFFFAOYSA-N |
| Mol Weight | 286.37 g/mol |
| Molecular Formula | C18H22O3 |
| Exact Mass | 286.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4XM3HVhhlGK |
|---|---|
| Name | 2-Cyclohexen-1-one, 3-hydroxy-2-(1-oxopropyl)-5-(2,4,6-trimethylphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.156894565 u |
| Formula | C18H22O3 |
| InChI | InChI=1S/C18H22O3/c1-5-14(19)18-15(20)8-13(9-16(18)21)17-11(3)6-10(2)7-12(17)4/h6-7,13,20H,5,8-9H2,1-4H3 |
| InChIKey | HBXUKEYLLIXGAE-UHFFFAOYSA-N |
| SMILES | OC1=C(C(CC(C2=C(C=C(C=C2C)C)C)C1)=O)C(CC)=O |