| SpectraBase Spectrum ID |
2w8X2cukgqh |
| Name |
1-(3'-Fluorophenyl)-4-phenylbut-3-en-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.095043201 u |
| Formula |
C16H13FO |
| InChI |
InChI=1S/C16H13FO/c17-15-8-4-7-14(11-15)12-16(18)10-9-13-5-2-1-3-6-13/h1-11H,12H2/b10-9- |
| InChIKey |
CTRFBYMVJRIUJT-KTKRTIGZSA-N |
| Molecular Weight |
240.277 g/mol |
| SMILES |
C1(\C=C/C(=O)CC=2C=C(F)C=CC2)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938112 |
