SpectraBase Spectrum ID |
Kt44ED4asLy |
Name |
Trans-4-ethoxy-3',4',5'-trimethoxychalcone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
342.146723803 u |
Formula |
C20H22O5 |
InChI |
InChI=1S/C20H22O5/c1-5-25-16-9-6-14(7-10-16)8-11-17(21)15-12-18(22-2)20(24-4)19(13-15)23-3/h6-13H,5H2,1-4H3/b11-8+ |
InChIKey |
VARWIJIMJVNPFL-DHZHZOJOSA-N |
Molecular Weight |
342.391 g/mol |
SMILES |
C1(=CC(=C(C(=C1)OC)OC)OC)C(\C=C\C1=CC=C(C=C1)OCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946311 |