| SpectraBase Compound ID | 85Jaoz7dEOM |
|---|---|
| InChI | InChI=1S/C13H15FO/c1-2-3-4-5-6-13(15)11-7-9-12(14)10-8-11/h5-10H,2-4H2,1H3/b6-5- |
| InChIKey | MBCXTHRJZLLJGT-WAYWQWQTSA-N |
| Mol Weight | 206.26 g/mol |
| Molecular Formula | C13H15FO |
| Exact Mass | 206.110693 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KobkO32DTM4 |
|---|---|
| Name | 1-(4-Fluorophenyl)-hept-2-en-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.110693265 u |
| Formula | C13H15FO |
| InChI | InChI=1S/C13H15FO/c1-2-3-4-5-6-13(15)11-7-9-12(14)10-8-11/h5-10H,2-4H2,1H3/b6-5- |
| InChIKey | MBCXTHRJZLLJGT-WAYWQWQTSA-N |
| Molecular Weight | 206.260 g/mol |
| SMILES | C(\C=C/CCCC)(=O)C=1C=CC(=CC1)F |