| SpectraBase Spectrum ID |
AfPgLDRxme7 |
| Name |
4,2'-bis(N-Pentyl)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/c1-5-7-9-17-30-25-15-11-21(3)19-23(25)24(28)14-12-22-13-16-26(27(20-22)29-4)31-18-10-8-6-2/h11-16,19-20H,5-10,17-18H2,1-4H3/b14-12+ |
| InChIKey |
JFJCZGNGKDIZPB-WYMLVPIESA-N |
| Molecular Weight |
424.581 g/mol |
| SMILES |
C1(=C(C=CC(=C1)C)OCCCCC)C(\C=C\C=1C=CC(OCCCCC)=C(C1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966785 |
