| SpectraBase Compound ID | GC1YPJuOku |
|---|---|
| InChI | InChI=1S/C14H18O/c1-2-14(15)12-8-4-7-11-13-9-5-3-6-10-13/h3,5-6,8-10,12H,2,4,7,11H2,1H3/b12-8+ |
| InChIKey | ITJSCYNPAGKTFX-XYOKQWHBSA-N |
| Mol Weight | 202.3 g/mol |
| Molecular Formula | C14H18O |
| Exact Mass | 202.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9310P8nKTyV |
|---|---|
| Name | 4-Octen-3-one, 8-phenyl-, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.135765199 u |
| Formula | C14H18O |
| InChI | InChI=1S/C14H18O/c1-2-14(15)12-8-4-7-11-13-9-5-3-6-10-13/h3,5-6,8-10,12H,2,4,7,11H2,1H3/b12-8+ |
| InChIKey | ITJSCYNPAGKTFX-XYOKQWHBSA-N |
| Molecular Weight | 202.297 g/mol |
| SMILES | C(CC1=CC=CC=C1)C\C=C\C(CC)=O |