| SpectraBase Compound ID | 2W3P8RhCClE |
|---|---|
| InChI | InChI=1S/C17H24O2/c1-2-3-9-16-12-15(18)13-17(19-16)11-10-14-7-5-4-6-8-14/h4-8,16-17H,2-3,9-13H2,1H3 |
| InChIKey | VUZUBAVPNHLAHK-UHFFFAOYSA-N |
| Mol Weight | 260.38 g/mol |
| Molecular Formula | C17H24O2 |
| Exact Mass | 260.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3EIjOxL1tR1 |
|---|---|
| Name | 2-Butyl-6-phenethyltetrahydro-4H-pyran-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.177630011 u |
| Formula | C17H24O2 |
| InChI | InChI=1S/C17H24O2/c1-2-3-9-16-12-15(18)13-17(19-16)11-10-14-7-5-4-6-8-14/h4-8,16-17H,2-3,9-13H2,1H3 |
| InChIKey | VUZUBAVPNHLAHK-UHFFFAOYSA-N |
| Molecular Weight | 260.377 g/mol |
| SMILES | C1(=O)CC(OC(C1)CCC1=CC=CC=C1)CCCC |