| SpectraBase Spectrum ID |
9x4ogFjH6Di |
| Name |
2',3',4'-Trihydroxychalcone, tris(trifluoroacetate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
544.020456090 u |
| Formula |
C21H9F9O7 |
| InChI |
InChI=1S/C21H9F9O7/c22-19(23,24)16(32)35-13-9-7-11(12(31)8-6-10-4-2-1-3-5-10)14(36-17(33)20(25,26)27)15(13)37-18(34)21(28,29)30/h1-9H/b8-6+ |
| InChIKey |
XEOPTCHTNHBJAS-SOFGYWHQSA-N |
| Molecular Weight |
544.282 g/mol |
| SMILES |
C1(=CC=C(C(=C1OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)C(\C=C\C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963813 |
