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3-Hydroxy-6-methylflavone, trifluoroacetate

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

3-Hydroxy-6-methylflavone, trifluoroacetate
SpectraBase Compound ID CZE8oFNxrE3
InChI InChI=1S/C18H11F3O4/c1-10-7-8-13-12(9-10)14(22)16(25-17(23)18(19,20)21)15(24-13)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey DLANBKYIIMUYFP-UHFFFAOYSA-N
Mol Weight 348.28 g/mol
Molecular Formula C18H11F3O4
Exact Mass 348.060943 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7vYqMGo1IG2
Name 3-Hydroxy-6-methylflavone, trifluoroacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.060943319 u
Formula C18H11F3O4
InChI InChI=1S/C18H11F3O4/c1-10-7-8-13-12(9-10)14(22)16(25-17(23)18(19,20)21)15(24-13)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey DLANBKYIIMUYFP-UHFFFAOYSA-N
Molecular Weight 348.277 g/mol
SMILES C1=C(C=CC=C1)C1=C(OC(C(F)(F)F)=O)C(C2=CC(=CC=C2O1)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.870025