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3-(Heptafluorobutyryl)oxyflavone

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

3-(Heptafluorobutyryl)oxyflavone
SpectraBase Compound ID 5E9yEZfjouo
InChI InChI=1S/C19H9F7O4/c20-17(21,18(22,23)19(24,25)26)16(28)30-15-13(27)11-8-4-5-9-12(11)29-14(15)10-6-2-1-3-7-10/h1-9H
InChIKey FPFIZOJMBOKIBJ-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 FjIrujWSKRS
Name 3-(Heptafluorobutyryl)oxyflavone
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)30-15-13(27)11-8-4-5-9-12(11)29-14(15)10-6-2-1-3-7-10/h1-9H
InChIKey FPFIZOJMBOKIBJ-UHFFFAOYSA-N
Molecular Weight 434.266 g/mol
SMILES C1=CC=CC=C1C1=C(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(C2=C(C=CC=C2)O1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.895402