| SpectraBase Spectrum ID |
KXW9WcgZmlV |
| Name |
(Z)-4-Fluoro-1-phenyl-4-hepten-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
206.110693265 u |
| Formula |
C13H15FO |
| InChI |
InChI=1S/C13H15FO/c1-2-6-12(14)13(15)10-9-11-7-4-3-5-8-11/h3-8H,2,9-10H2,1H3/b12-6- |
| InChIKey |
CKBVVKFRFNLNRS-SDQBBNPISA-N |
| Molecular Weight |
206.260 g/mol |
| SMILES |
C(CC(\C(=C\CC)F)=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928762 |
