SpectraBase Spectrum ID |
2kRzhr1vzMD |
Name |
3-Chloro-2-(4-methoxyphenyl)-1-(4-methylphenyl)-2-propen-1-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
286.076057421 u |
Formula |
C17H15ClO2 |
InChI |
InChI=1S/C17H15ClO2/c1-12-3-5-14(6-4-12)17(19)16(11-18)13-7-9-15(20-2)10-8-13/h3-11H,1-2H3/b16-11+ |
InChIKey |
RZORKYBJRYEQKL-LFIBNONCSA-N |
SMILES |
C(\C(C1=CC=C(C=C1)OC)=C\Cl)(C=1C=CC(=CC1)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904984 |