| SpectraBase Spectrum ID |
1slVkAMHPYx |
| Name |
5'-Fluoro-2'-(acetyl)oxy-4-methoxychalcone (isomer 2) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.095437122 u |
| Formula |
C18H15FO4 |
| InChI |
InChI=1S/C18H15FO4/c1-12(20)23-18-10-6-14(19)11-16(18)17(21)9-5-13-3-7-15(22-2)8-4-13/h3-11H,1-2H3/b9-5+ |
| InChIKey |
LAUWEGUWHCCNLB-WEVVVXLNSA-N |
| Molecular Weight |
314.312 g/mol |
| SMILES |
C1(=C(C=CC(=C1)F)OC(C)=O)C(\C=C\C=1C=CC(=CC1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895468 |
