SpectraBase Spectrum ID |
GwDO6Lo9LK0 |
Name |
Trans-4-ethoxy-4'-methoxychalcone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
282.125594437 u |
Formula |
C18H18O3 |
InChI |
InChI=1S/C18H18O3/c1-3-21-17-9-4-14(5-10-17)6-13-18(19)15-7-11-16(20-2)12-8-15/h4-13H,3H2,1-2H3/b13-6+ |
InChIKey |
OCJRMZSSQYAGCZ-AWNIVKPZSA-N |
SMILES |
C1(=CC=C(C=C1)OC)C(\C=C\C1=CC=C(C=C1)OCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959246 |