| SpectraBase Spectrum ID |
BNHvlJJznyC |
| Name |
5'-Fluoro-2'-(N-pentyl)oxy-4-methoxychalcone (isomer 1) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.163122761 u |
| Formula |
C21H23FO3 |
| InChI |
InChI=1S/C21H23FO3/c1-3-4-5-14-25-21-13-9-17(22)15-19(21)20(23)12-8-16-6-10-18(24-2)11-7-16/h6-13,15H,3-5,14H2,1-2H3/b12-8+ |
| InChIKey |
JDBGFTTZYQRVQD-XYOKQWHBSA-N |
| Molecular Weight |
342.410 g/mol |
| SMILES |
C1(=C(C=CC(=C1)F)OCCCCC)C(\C=C\C=1C=CC(=CC1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914305 |
