| SpectraBase Spectrum ID |
DwVLTYuvOGF |
| Name |
Daidzein, bis(trifluoroacetate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
446.022506950 u |
| Formula |
C19H8F6O6 |
| InChI |
InChI=1S/C19H8F6O6/c20-18(21,22)16(27)30-10-3-1-9(2-4-10)13-8-29-14-7-11(5-6-12(14)15(13)26)31-17(28)19(23,24)25/h1-8H |
| InChIKey |
DKJNBGZWBQBAFX-UHFFFAOYSA-N |
| Molecular Weight |
446.257 g/mol |
| SMILES |
C1(=CC=C(C=C1)OC(C(F)(F)F)=O)C=1C(=O)C2=C(C=C(C=C2)OC(C(F)(F)F)=O)OC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851775 |
