| SpectraBase Spectrum ID |
BmuMW5zBakd |
| Name |
4,2'-bis(2-Methylbutyl)oxy-3-methoxy-5'-methylchalcone (isomer 1) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.261359635 u |
| Formula |
C27H36O4 |
| InChI |
InChI=1S/C27H36O4/c1-7-19(3)17-30-25-13-9-21(5)15-23(25)24(28)12-10-22-11-14-26(27(16-22)29-6)31-18-20(4)8-2/h9-16,19-20H,7-8,17-18H2,1-6H3/b12-10+ |
| InChIKey |
BBBDKXPGDJLDIV-ZRDIBKRKSA-N |
| Molecular Weight |
424.581 g/mol |
| SMILES |
C1(=C(C=CC(=C1)C)OCC(CC)C)C(\C=C\C=1C=CC(OCC(CC)C)=C(C1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967305 |
