| SpectraBase Spectrum ID |
EMnREoQhQXX |
| Name |
4'-(Pentafluoropropionyl)oxy-6-methylflavone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.057749645 u |
| Formula |
C19H11F5O4 |
| InChI |
InChI=1S/C19H11F5O4/c1-10-2-7-15-13(8-10)14(25)9-16(28-15)11-3-5-12(6-4-11)27-17(26)18(20,21)19(22,23)24/h2-9H,1H3 |
| InChIKey |
WSHYDNSNTGTMJK-UHFFFAOYSA-N |
| Molecular Weight |
398.285 g/mol |
| SMILES |
C1=C(C=CC(=C1)OC(C(C(F)(F)F)(F)F)=O)C1=CC(C2=CC(=CC=C2O1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.809246 |
