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6-Hydroxyflavone, heptafluorobutyrate

View entire compound with spectra: 1 NMR, and 1 FTIR

6-Hydroxyflavone, heptafluorobutyrate
SpectraBase Compound ID Epsq7UrYsaC
InChI InChI=1S/C19H9F7O4/c20-17(21,18(22,23)19(24,25)26)16(28)29-11-6-7-14-12(8-11)13(27)9-15(30-14)10-4-2-1-3-5-10/h1-9H
InChIKey NQUBTJUKNPMLOS-UHFFFAOYSA-N
Mol Weight 434.27 g/mol
Molecular Formula C19H9F7O4
Exact Mass 434.038906 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1hR3jSyoB5y
Name 6-Hydroxyflavone, heptafluorobutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.038905907 u
Formula C19H9F7O4
InChI InChI=1S/C19H9F7O4/c20-17(21,18(22,23)19(24,25)26)16(28)29-11-6-7-14-12(8-11)13(27)9-15(30-14)10-4-2-1-3-5-10/h1-9H
InChIKey NQUBTJUKNPMLOS-UHFFFAOYSA-N
Molecular Weight 434.266 g/mol
SMILES C1=C(C=CC=C1)C1=CC(C2=CC(=CC=C2O1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.836128