![Ethanone, 1-[4-(octyloxy)phenyl]-](/api/spectrum/6DxOEA3mmBl/structure.png?h=300&w=458 "Ethanone, 1-[4-(octyloxy)phenyl]-")
| SpectraBase Compound ID | BRKX3i5nQsI |
|---|---|
| InChI | InChI=1S/C16H24O2/c1-3-4-5-6-7-8-13-18-16-11-9-15(10-12-16)14(2)17/h9-12H,3-8,13H2,1-2H3 |
| InChIKey | VPKXMEDAPFGBQW-UHFFFAOYSA-N |
| Mol Weight | 248.37 g/mol |
| Molecular Formula | C16H24O2 |
| Exact Mass | 248.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6DxOEA3mmBl |
|---|---|
| Name | Ethanone, 1-[4-(octyloxy)phenyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.177630011 u |
| Formula | C16H24O2 |
| InChI | InChI=1S/C16H24O2/c1-3-4-5-6-7-8-13-18-16-11-9-15(10-12-16)14(2)17/h9-12H,3-8,13H2,1-2H3 |
| InChIKey | VPKXMEDAPFGBQW-UHFFFAOYSA-N |
| Molecular Weight | 248.366 g/mol |
| SMILES | CCCCCCCCOC1=CC=C(C=C1)C(C)=O |