| SpectraBase Spectrum ID |
DDQ0chGXfOD |
| Name |
3-Methoxy-4,2',5'-trihydroxychalcone, tris(trifluoroacetate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
574.031020773 u |
| Formula |
C22H11F9O8 |
| InChI |
InChI=1S/C22H11F9O8/c1-36-16-8-10(3-6-15(16)39-19(35)22(29,30)31)2-5-13(32)12-9-11(37-17(33)20(23,24)25)4-7-14(12)38-18(34)21(26,27)28/h2-9H,1H3/b5-2+ |
| InChIKey |
ROASDEGCVIZNPB-GORDUTHDSA-N |
| Molecular Weight |
574.308 g/mol |
| SMILES |
C1(=CC(=CC=C1OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)C(\C=C\C1=CC=C(C(=C1)OC)OC(C(F)(F)F)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887691 |
