| SpectraBase Compound ID | FiBt9OTQGZR |
|---|---|
| InChI | InChI=1S/C16H22O2/c1-2-3-5-10-15(17)13-16(18)12-11-14-8-6-4-7-9-14/h4,6-9,11-12,15,17H,2-3,5,10,13H2,1H3/b12-11+ |
| InChIKey | YISROLNVNDRXFK-VAWYXSNFSA-N |
| Mol Weight | 246.35 g/mol |
| Molecular Formula | C16H22O2 |
| Exact Mass | 246.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6rHR26WaxbM |
|---|---|
| Name | 1-Decen-3-one, 5-hydroxy-1-phenyl-, (E)-(.+-.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.161979946 u |
| Formula | C16H22O2 |
| InChI | InChI=1S/C16H22O2/c1-2-3-5-10-15(17)13-16(18)12-11-14-8-6-4-7-9-14/h4,6-9,11-12,15,17H,2-3,5,10,13H2,1H3/b12-11+ |
| InChIKey | YISROLNVNDRXFK-VAWYXSNFSA-N |
| Molecular Weight | 246.350 g/mol |
| SMILES | C1(\C=C\C(CC(O)CCCCC)=O)=CC=CC=C1 |