![1-[4-[(E)-oct-1-enyl]phenyl]ethanone](/api/spectrum/2IPebX3yLtB/structure.png?h=300&w=458 "1-[4-[(E)-oct-1-enyl]phenyl]ethanone")
| SpectraBase Compound ID | 3sZz7hnWNKY |
|---|---|
| InChI | InChI=1S/C16H22O/c1-3-4-5-6-7-8-9-15-10-12-16(13-11-15)14(2)17/h8-13H,3-7H2,1-2H3/b9-8+ |
| InChIKey | FUUIVUFWJHBWAD-CMDGGOBGSA-N |
| Mol Weight | 230.35 g/mol |
| Molecular Formula | C16H22O |
| Exact Mass | 230.167065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2IPebX3yLtB |
|---|---|
| Name | 1-[4-[(E)-oct-1-Enyl]phenyl]ethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.167065327 u |
| Formula | C16H22O |
| InChI | InChI=1S/C16H22O/c1-3-4-5-6-7-8-9-15-10-12-16(13-11-15)14(2)17/h8-13H,3-7H2,1-2H3/b9-8+ |
| InChIKey | FUUIVUFWJHBWAD-CMDGGOBGSA-N |
| Molecular Weight | 230.351 g/mol |
| SMILES | C(C=1C=CC(\C=C\CCCCCC)=CC1)(=O)C |