![2-Cyclohexen-3-ol-1-one, 2-[9-phennonanoyl]-](/api/spectrum/BRpYcRLlOlI/structure.png?h=300&w=458 "2-Cyclohexen-3-ol-1-one, 2-[9-phennonanoyl]-")
| SpectraBase Compound ID | E71bd9EsgcX |
|---|---|
| InChI | InChI=1S/C21H28O3/c22-18(21-19(23)15-10-16-20(21)24)14-9-4-2-1-3-6-11-17-12-7-5-8-13-17/h5,7-8,12-13,23H,1-4,6,9-11,14-16H2 |
| InChIKey | QDFKFWDIFZVVOA-UHFFFAOYSA-N |
| Mol Weight | 328.45 g/mol |
| Molecular Formula | C21H28O3 |
| Exact Mass | 328.203845 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BRpYcRLlOlI |
|---|---|
| Name | 2-Cyclohexen-3-ol-1-one, 2-[9-phennonanoyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.203844759 u |
| Formula | C21H28O3 |
| InChI | InChI=1S/C21H28O3/c22-18(21-19(23)15-10-16-20(21)24)14-9-4-2-1-3-6-11-17-12-7-5-8-13-17/h5,7-8,12-13,23H,1-4,6,9-11,14-16H2 |
| InChIKey | QDFKFWDIFZVVOA-UHFFFAOYSA-N |
| Molecular Weight | 328.452 g/mol |
| SMILES | C1CC(=C(C(C1)=O)C(CCCCCCCCC1=CC=CC=C1)=O)O |