| SpectraBase Spectrum ID |
djvcYjF8KJ |
| Name |
3,4-Dimethoxy-2'-hydroxy-5'-methylchalcone, trifluoroacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.102808131 u |
| Formula |
C20H17F3O5 |
| InChI |
InChI=1S/C20H17F3O5/c1-12-4-8-16(28-19(25)20(21,22)23)14(10-12)15(24)7-5-13-6-9-17(26-2)18(11-13)27-3/h4-11H,1-3H3/b7-5+ |
| InChIKey |
RIONWCMIUVQSGX-FNORWQNLSA-N |
| Molecular Weight |
394.346 g/mol |
| SMILES |
C1(=CC(=CC=C1OC(C(F)(F)F)=O)C)C(\C=C\C1=CC=C(C(=C1)OC)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836048 |
