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5-Bromo-2,3-bis(4-fluorophenyl)-1H-inden-1-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

5-Bromo-2,3-bis(4-fluorophenyl)-1H-inden-1-one
SpectraBase Compound ID 5TAZ2t4Gx3H
InChI InChI=1S/C21H11BrF2O/c22-14-5-10-17-18(11-14)19(12-1-6-15(23)7-2-12)20(21(17)25)13-3-8-16(24)9-4-13/h1-11H
InChIKey KEAALEWSNNTEND-UHFFFAOYSA-N
Mol Weight 397.22 g/mol
Molecular Formula C21H11BrF2O
Exact Mass 395.996134 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7mQy5HWCWYc
Name 5-Bromo-2,3-bis(4-fluorophenyl)-1H-inden-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 395.996134299 u
Formula C21H11BrF2O
InChI InChI=1S/C21H11BrF2O/c22-14-5-10-17-18(11-14)19(12-1-6-15(23)7-2-12)20(21(17)25)13-3-8-16(24)9-4-13/h1-11H
InChIKey KEAALEWSNNTEND-UHFFFAOYSA-N
Molecular Weight 397.219 g/mol
SMILES C1(=C(C=2C=C(Br)C=CC2C1=O)C1=CC=C(C=C1)F)C=1C=CC(=CC1)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.860453