| SpectraBase Spectrum ID |
Brwclb4GASS |
| Name |
1-(4-Fluorophenyl)-4-phenylbutan-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
242.110693265 u |
| Formula |
C16H15FO |
| InChI |
InChI=1S/C16H15FO/c17-15-9-6-14(7-10-15)12-16(18)11-8-13-4-2-1-3-5-13/h1-7,9-10H,8,11-12H2 |
| InChIKey |
TWNVVDMNHFYFKK-UHFFFAOYSA-N |
| Molecular Weight |
242.293 g/mol |
| SMILES |
C(=O)(CC1=CC=C(C=C1)F)CCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931639 |
