| SpectraBase Spectrum ID |
8okXW4EI4TD |
| Name |
Genistein, o,o',o''-tri(trifluoroacetyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
557.999720644 u |
| Formula |
C21H7F9O8 |
| InChI |
InChI=1S/C21H7F9O8/c22-19(23,24)16(32)36-9-3-1-8(2-4-9)11-7-35-12-5-10(37-17(33)20(25,26)27)6-13(14(12)15(11)31)38-18(34)21(28,29)30/h1-7H |
| InChIKey |
HSIIOAULNMBNOE-UHFFFAOYSA-N |
| Molecular Weight |
558.265 g/mol |
| SMILES |
C1=C(C=C2C(=C1OC(C(F)(F)F)=O)C(C(=CO2)C1=CC=C(C=C1)OC(C(F)(F)F)=O)=O)OC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916113 |
