| SpectraBase Spectrum ID |
12LbzehBF99 |
| Name |
4,2'-bis(N-Butyl)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 |
396.230059506 u |
| Formula |
C25H32O4 |
| InChI |
InChI=1S/C25H32O4/c1-5-7-15-28-23-13-9-19(3)17-21(23)22(26)12-10-20-11-14-24(25(18-20)27-4)29-16-8-6-2/h9-14,17-18H,5-8,15-16H2,1-4H3/b12-10+ |
| InChIKey |
RQNMCUQFNJSCCS-ZRDIBKRKSA-N |
| Molecular Weight |
396.527 g/mol |
| SMILES |
C1(=C(C=CC(=C1)C)OCCCC)C(\C=C\C=1C=CC(OCCCC)=C(C1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941731 |
