| SpectraBase Spectrum ID |
IuRVBtPv03o |
| Name |
4'-(N-Pentyl)oxy-4-methoxy-2'-methylchalcone (isomer 1) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.188194694 u |
| Formula |
C22H26O3 |
| InChI |
InChI=1S/C22H26O3/c1-4-5-6-15-25-20-12-13-21(17(2)16-20)22(23)14-9-18-7-10-19(24-3)11-8-18/h7-14,16H,4-6,15H2,1-3H3/b14-9+ |
| InChIKey |
AMNQYPCZMVOJDT-NTEUORMPSA-N |
| Molecular Weight |
338.447 g/mol |
| SMILES |
C1(=C(C=C(C=C1)OCCCCC)C)C(\C=C\C=1C=CC(OC)=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952801 |
