| SpectraBase Spectrum ID |
2VdSnxnOYIE |
| 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/c1-26-13-6-9-16(29-19(25)20(21,22)23)14(11-13)15(24)7-4-12-5-8-17(27-2)18(10-12)28-3/h4-11H,1-3H3/b7-4+ |
| InChIKey |
RXHNPOFKUWYXHO-QPJJXVBHSA-N |
| Molecular Weight |
410.345 g/mol |
| SMILES |
C1(=CC(=CC=C1OC(C(F)(F)F)=O)OC)C(\C=C\C1=CC=C(C(=C1)OC)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845233 |
