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

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

2,3,5-Tris(4-fluorophenyl)-1H-inden-1-one
SpectraBase Compound ID 2KDNhfi8rm5
InChI InChI=1S/C27H15F3O/c28-20-8-1-16(2-9-20)19-7-14-23-24(15-19)25(17-3-10-21(29)11-4-17)26(27(23)31)18-5-12-22(30)13-6-18/h1-15H
InChIKey SIYTWOOMCHZNDE-UHFFFAOYSA-N
Mol Weight 412.41 g/mol
Molecular Formula C27H15F3O
Exact Mass 412.1075 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9GvXYqonHcC
Name 2,3,5-Tris(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 412.107499591 u
Formula C27H15F3O
InChI InChI=1S/C27H15F3O/c28-20-8-1-16(2-9-20)19-7-14-23-24(15-19)25(17-3-10-21(29)11-4-17)26(27(23)31)18-5-12-22(30)13-6-18/h1-15H
InChIKey SIYTWOOMCHZNDE-UHFFFAOYSA-N
Molecular Weight 412.411 g/mol
SMILES C1(=C(C=2C=C(C=3C=CC(=CC3)F)C=CC2C1=O)C1=CC=C(C=C1)F)C=1C=CC(=CC1)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.894343