| SpectraBase Spectrum ID |
4dnWFpoEWDK |
| Name |
4'-Methoxyflavonol, trifluoroacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
364.055857938 u |
| Formula |
C18H11F3O5 |
| InChI |
InChI=1S/C18H11F3O5/c1-24-11-8-6-10(7-9-11)15-16(26-17(23)18(19,20)21)14(22)12-4-2-3-5-13(12)25-15/h2-9H,1H3 |
| InChIKey |
KGLBZAVRBBBPBO-UHFFFAOYSA-N |
| Molecular Weight |
364.276 g/mol |
| SMILES |
C1=C(C=CC(=C1)OC)C1=C(OC(C(F)(F)F)=O)C(C2=CC=CC=C2O1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875444 |
