| SpectraBase Spectrum ID |
3lNGKOkNH8g |
| Name |
4'-Ethoxy-2'-methyl-3,4,5-trimethoxychalcone (isomer 2) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.162373868 u |
| Formula |
C21H24O5 |
| InChI |
InChI=1S/C21H24O5/c1-6-26-16-8-9-17(14(2)11-16)18(22)10-7-15-12-19(23-3)21(25-5)20(13-15)24-4/h7-13H,6H2,1-5H3/b10-7+ |
| InChIKey |
XZGFGMNRTAKKEM-JXMROGBWSA-N |
| Molecular Weight |
356.418 g/mol |
| SMILES |
C1(=C(C=C(C=C1)OCC)C)C(\C=C\C=1C=C(OC)C(OC)=C(OC)C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93746 |
