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3-Hydroxy-6-methoxyflavone, trifluoroacetate
SpectraBase Compound ID 2pQNU07lwoC
InChI InChI=1S/C18H11F3O5/c1-24-11-7-8-13-12(9-11)14(22)16(26-17(23)18(19,20)21)15(25-13)10-5-3-2-4-6-10/h2-9H,1H3
InChIKey CJHSSOJNNZAFSP-UHFFFAOYSA-N
Mol Weight 364.28 g/mol
Molecular Formula C18H11F3O5
Exact Mass 364.055858 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Gt8vfqV5LxF
Name 3-Hydroxy-6-methoxyflavone, trifluoroacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.055857938 u
Formula C18H11F3O5
InChI InChI=1S/C18H11F3O5/c1-24-11-7-8-13-12(9-11)14(22)16(26-17(23)18(19,20)21)15(25-13)10-5-3-2-4-6-10/h2-9H,1H3
InChIKey CJHSSOJNNZAFSP-UHFFFAOYSA-N
Molecular Weight 364.276 g/mol
SMILES C1=C(C=CC=C1)C1=C(OC(C(F)(F)F)=O)C(C2=CC(=CC=C2O1)OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.807399