SpectraBase Spectrum ID |
4pBGiSaXFA7 |
Name |
2',5'-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)29-12-7-9-15(30-17(28)19(23,24)25)13(10-12)14(26)8-6-11-4-2-1-3-5-11/h1-10H/b8-6+ |
InChIKey |
IJTRCZLUJQWSAN-SOFGYWHQSA-N |
Molecular Weight |
432.274 g/mol |
SMILES |
C1(=CC(=CC=C1OC(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) |
0.895098 |