| SpectraBase Spectrum ID |
1pvbY2YR30R |
| Name |
4,2'-bis(2-Methylpropyl)oxy-3-methoxy-5'-methylchalcone (isomer 2) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.230059506 u |
| Formula |
C25H32O4 |
| InChI |
InChI=1S/C25H32O4/c1-17(2)15-28-23-11-7-19(5)13-21(23)22(26)10-8-20-9-12-24(25(14-20)27-6)29-16-18(3)4/h7-14,17-18H,15-16H2,1-6H3/b10-8+ |
| InChIKey |
KCQIJXYARGSEOO-CSKARUKUSA-N |
| Molecular Weight |
396.527 g/mol |
| SMILES |
C1(=C(C=CC(=C1)C)OCC(C)C)C(\C=C\C=1C=CC(OCC(C)C)=C(C1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976636 |
