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2',5'-Dihydroxychalcone, bis(trifluoroacetate)
SpectraBase Compound ID INI5W5acARR
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
Mol Weight 432.27 g/mol
Molecular Formula C19H10F6O5
Exact Mass 432.043242 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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