| SpectraBase Spectrum ID |
840TVKfV2A7 |
| Name |
2'-Hydroxy-3,4,4',6'-tetramethoxychalcone, trifluoroacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
440.108287434 u |
| Formula |
C21H19F3O7 |
| InChI |
InChI=1S/C21H19F3O7/c1-27-13-10-17(30-4)19(18(11-13)31-20(26)21(22,23)24)14(25)7-5-12-6-8-15(28-2)16(9-12)29-3/h5-11H,1-4H3/b7-5+ |
| InChIKey |
USENEGFPLDYKFD-FNORWQNLSA-N |
| Molecular Weight |
440.371 g/mol |
| SMILES |
C1(=C(C=C(C=C1OC(C(F)(F)F)=O)OC)OC)C(\C=C\C1=CC=C(C(=C1)OC)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898229 |
