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1-(4-Bromophenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propan-1-one

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

1-(4-Bromophenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propan-1-one
SpectraBase Compound ID 4JQWxq78wl2
InChI InChI=1S/C12H4BrF11O2/c13-6-3-1-5(2-4-6)7(25)8(14,10(17,18)19)26-12(23,24)9(15,16)11(20,21)22/h1-4H
InChIKey HQBXHUYKDUEUDO-UHFFFAOYSA-N
Mol Weight 469.05 g/mol
Molecular Formula C12H4BrF11O2
Exact Mass 467.921902 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Bje3y2uj6W2
Name 1-(4-Bromophenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propan-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 467.921902160 u
Formula C12H4BrF11O2
InChI InChI=1S/C12H4BrF11O2/c13-6-3-1-5(2-4-6)7(25)8(14,10(17,18)19)26-12(23,24)9(15,16)11(20,21)22/h1-4H
InChIKey HQBXHUYKDUEUDO-UHFFFAOYSA-N
Molecular Weight 469.048 g/mol
SMILES C(C(OC(F)(F)C(C(F)(F)F)(F)F)(F)C(F)(F)F)(=O)C1=CC=C(C=C1)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.88773