| SpectraBase Spectrum ID |
3P7EfWSnIGI |
| Name |
2'-Hydroxy-3',4',4-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/c1-26-13-7-4-12(5-8-13)6-10-15(24)14-9-11-16(27-2)18(28-3)17(14)29-19(25)20(21,22)23/h4-11H,1-3H3/b10-6+ |
| InChIKey |
XTHXXLJIMOHPNC-UXBLZVDNSA-N |
| Molecular Weight |
410.345 g/mol |
| SMILES |
C1(=CC=C(C(=C1OC(C(F)(F)F)=O)OC)OC)C(\C=C\C1=CC=C(C=C1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.840031 |
