| SpectraBase Spectrum ID |
8roRjgqJB5R |
| Name |
2'-Ethoxy-4,4',6'-trimethoxychalcone (isomer 2) |
| 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/c1-5-25-19-13-16(23-3)12-18(24-4)20(19)17(21)11-8-14-6-9-15(22-2)10-7-14/h6-13H,5H2,1-4H3/b11-8+ |
| InChIKey |
KPJIQERUGDTCLP-DHZHZOJOSA-N |
| Molecular Weight |
342.391 g/mol |
| SMILES |
C1(=C(C=C(C=C1OC)OC)OCC)C(\C=C\C=1C=CC(OC)=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961886 |
