| SpectraBase Spectrum ID |
H6KsmKoioHp |
| Name |
4,2'-bis(3-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/c1-19(2)13-15-30-25-11-7-21(5)17-23(25)24(28)10-8-22-9-12-26(27(18-22)29-6)31-16-14-20(3)4/h7-12,17-20H,13-16H2,1-6H3/b10-8+ |
| InChIKey |
VGKLJMVARDWZNA-CSKARUKUSA-N |
| Molecular Weight |
424.581 g/mol |
| SMILES |
C1(=C(C=CC(=C1)C)OCCC(C)C)C(\C=C\C=1C=CC(OCCC(C)C)=C(C1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937601 |
