| SpectraBase Compound ID | HCJmR3U0hIS |
|---|---|
| InChI | InChI=1S/C14H14O/c1-2-8-14(15)12-7-6-11-13-9-4-3-5-10-13/h2-12H,1H3/b8-2+,11-6+,12-7+ |
| InChIKey | UUKYIJYNFJVNQB-GAHVQSIESA-N |
| Mol Weight | 198.26 g/mol |
| Molecular Formula | C14H14O |
| Exact Mass | 198.104465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FNsWcMlEiJ1 |
|---|---|
| Name | (2E,5E,7E)-8-Phenylocta-2,5,7-trien-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.104465070 u |
| Formula | C14H14O |
| InChI | InChI=1S/C14H14O/c1-2-8-14(15)12-7-6-11-13-9-4-3-5-10-13/h2-12H,1H3/b8-2+,11-6+,12-7+ |
| InChIKey | UUKYIJYNFJVNQB-GAHVQSIESA-N |
| Molecular Weight | 198.265 g/mol |
| SMILES | C(\C=C\C=C\C=1C=CC=CC1)(\C=C\C)=O |