SpectraBase Spectrum ID |
Jln9wkhK5Br |
Name |
5'-Fluoro-2'-hydroxy-4-methylchalcone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
256.089957820 u |
Formula |
C16H13FO2 |
InChI |
InChI=1S/C16H13FO2/c1-11-2-4-12(5-3-11)6-8-15(18)14-10-13(17)7-9-16(14)19/h2-10,19H,1H3/b8-6+ |
InChIKey |
YGHOPZJDQCVZTO-SOFGYWHQSA-N |
Molecular Weight |
256.276 g/mol |
SMILES |
C1(=C(C=CC(=C1)F)O)C(\C=C\C1=CC=C(C=C1)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934945 |