| SpectraBase Spectrum ID |
5GK61VABHUS |
| Name |
2'-Hydroxy-3,4,5-trimethoxychalcone, trifluoroacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.097722750 u |
| Formula |
C20H17F3O6 |
| InChI |
InChI=1S/C20H17F3O6/c1-26-16-10-12(11-17(27-2)18(16)28-3)8-9-14(24)13-6-4-5-7-15(13)29-19(25)20(21,22)23/h4-11H,1-3H3/b9-8+ |
| InChIKey |
VKCUBUIMFIKTEI-CMDGGOBGSA-N |
| Molecular Weight |
410.345 g/mol |
| SMILES |
C1(=CC=CC=C1OC(C(F)(F)F)=O)C(\C=C\C1=CC(=C(C(=C1)OC)OC)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897289 |
