| SpectraBase Spectrum ID |
KIobH50oJ9a |
| Name |
1-(4-Fluoro-phenyl)-oct-2-ene-1,7-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.105607884 u |
| Formula |
C14H15FO2 |
| InChI |
InChI=1S/C14H15FO2/c1-11(16)5-3-2-4-6-14(17)12-7-9-13(15)10-8-12/h4,6-10H,2-3,5H2,1H3/b6-4+ |
| InChIKey |
WKSZLPSWRAFUSQ-GQCTYLIASA-N |
| Molecular Weight |
234.270 g/mol |
| SMILES |
C=1C=C(C=CC1F)C(=O)\C=C\CCCC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97828 |
