SpectraBase Spectrum ID |
23qND7EPxv6 |
Name |
2'-(2-Methylbutyl)oxy-3,4,4',5-tetramethoxychalcone (isomer 1) |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
414.204238680 u |
Formula |
C24H30O6 |
InChI |
InChI=1S/C24H30O6/c1-7-16(2)15-30-21-14-18(26-3)9-10-19(21)20(25)11-8-17-12-22(27-4)24(29-6)23(13-17)28-5/h8-14,16H,7,15H2,1-6H3/b11-8+ |
InChIKey |
XGFZPEVNYXERNW-DHZHZOJOSA-N |
Molecular Weight |
414.498 g/mol |
SMILES |
C1(=C(C=C(C=C1)OC)OCC(CC)C)C(\C=C\C=1C=C(OC)C(OC)=C(OC)C1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976288 |