| SpectraBase Spectrum ID |
87joydOoZLo |
| Name |
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 |
544.020456090 u |
| Formula |
C21H9F9O7 |
| InChI |
InChI=1S/C21H9F9O7/c22-19(23,24)16(32)35-11-4-1-10(2-5-11)3-7-14(31)13-9-12(36-17(33)20(25,26)27)6-8-15(13)37-18(34)21(28,29)30/h1-9H/b7-3+ |
| InChIKey |
SZZJPLKEJMGBKY-XVNBXDOJSA-N |
| Molecular Weight |
544.282 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(C(F)(F)F)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943978 |
