| SpectraBase Spectrum ID |
6aEdteahru3 |
| Name |
2'-(2-Methylpropyl)oxy-3,4,4',5-tetramethoxychalcone (isomer 2) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.188588616 u |
| Formula |
C23H28O6 |
| InChI |
InChI=1S/C23H28O6/c1-15(2)14-29-20-13-17(25-3)8-9-18(20)19(24)10-7-16-11-21(26-4)23(28-6)22(12-16)27-5/h7-13,15H,14H2,1-6H3/b10-7+ |
| InChIKey |
WQQYNXJNMLSKEY-JXMROGBWSA-N |
| Molecular Weight |
400.471 g/mol |
| SMILES |
C1(=C(C=C(C=C1)OC)OCC(C)C)C(\C=C\C=1C=C(OC)C(OC)=C(OC)C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970062 |
