| SpectraBase Spectrum ID |
36ECmS7lFR1 |
| Name |
2,2'-Dihydroxychalcone, bis(trifluoroacetate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
432.043242395 u |
| Formula |
C19H10F6O5 |
| InChI |
InChI=1S/C19H10F6O5/c20-18(21,22)16(27)29-14-7-3-1-5-11(14)9-10-13(26)12-6-2-4-8-15(12)30-17(28)19(23,24)25/h1-10H/b10-9+ |
| InChIKey |
FKPBJLWSQHLBLX-MDZDMXLPSA-N |
| Molecular Weight |
432.274 g/mol |
| SMILES |
C1(=CC=CC=C1OC(C(F)(F)F)=O)C(\C=C\C1=CC=CC=C1OC(C(F)(F)F)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95354 |
