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1,3-Butanedione, 1-(4-bromophenyl)-4,4,4-trifluoro-

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1,3-Butanedione, 1-(4-bromophenyl)-4,4,4-trifluoro-
SpectraBase Compound ID 3niMrOtfm0X
InChI InChI=1S/C10H6BrF3O2/c11-7-3-1-6(2-4-7)8(15)5-9(16)10(12,13)14/h1-4H,5H2
InChIKey ITVIRNOCIDFYRZ-UHFFFAOYSA-N
Mol Weight 295.06 g/mol
Molecular Formula C10H6BrF3O2
Exact Mass 293.950327 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HfdtGcX9aBg
Name 1,3-Butanedione, 1-(4-bromophenyl)-4,4,4-trifluoro-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 293.950326920 u
Formula C10H6BrF3O2
InChI InChI=1S/C10H6BrF3O2/c11-7-3-1-6(2-4-7)8(15)5-9(16)10(12,13)14/h1-4H,5H2
InChIKey ITVIRNOCIDFYRZ-UHFFFAOYSA-N
Molecular Weight 295.055 g/mol
SMILES C(F)(F)(F)C(=O)CC(=O)C1=CC=C(C=C1)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.861456