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4-Bromo-4'-trifluoromethoxybiphenyl

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

4-Bromo-4'-trifluoromethoxybiphenyl
SpectraBase Compound ID AXR2BMngwWK
InChI InChI=1S/C13H8BrF3O/c14-11-5-1-9(2-6-11)10-3-7-12(8-4-10)18-13(15,16)17/h1-8H
InChIKey SOJDIXJKGSONDR-UHFFFAOYSA-N
Mol Weight 317.11 g/mol
Molecular Formula C13H8BrF3O
Exact Mass 315.971062 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 16iwXNyf3ta
Name 4-Bromo-4'-trifluoromethoxybiphenyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 315.971062366 u
Formula C13H8BrF3O
InChI InChI=1S/C13H8BrF3O/c14-11-5-1-9(2-6-11)10-3-7-12(8-4-10)18-13(15,16)17/h1-8H
InChIKey SOJDIXJKGSONDR-UHFFFAOYSA-N
Molecular Weight 317.105 g/mol
SMILES C=1(C=CC(=CC1)Br)C=1C=CC(=CC1)OC(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.899047