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6-Bromo-4'-fluorothioflavone

View entire compound with spectra: 1 FTIR

6-Bromo-4'-fluorothioflavone
SpectraBase Compound ID 9hA1ilUDVVp
InChI InChI=1S/C15H8BrFOS/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-8H
InChIKey KNVISZPHVMHIGN-UHFFFAOYSA-N
Mol Weight 335.19 g/mol
Molecular Formula C15H8BrFOS
Exact Mass 333.946327 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Js3ZNzMvuaK
Name 6-Bromo-4'-fluorothioflavone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.946327214 u
Formula C15H8BrFOS
InChI InChI=1S/C15H8BrFOS/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-8H
InChIKey KNVISZPHVMHIGN-UHFFFAOYSA-N
Molecular Weight 335.190 g/mol
SMILES C12=C(C(C=C(S2)C2=CC=C(C=C2)F)=O)C=C(C=C1)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.895706