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4-Bromophenol, heptafluorobutyrate

View entire compound with spectra: 1 NMR, and 1 FTIR

4-Bromophenol, heptafluorobutyrate
SpectraBase Compound ID 3CJlzyDqqwC
InChI InChI=1S/C10H4BrF7O2/c11-5-1-3-6(4-2-5)20-7(19)8(12,13)9(14,15)10(16,17)18/h1-4H
InChIKey HSABHEHJRDZLPP-UHFFFAOYSA-N
Mol Weight 369.03 g/mol
Molecular Formula C10H4BrF7O2
Exact Mass 367.92829 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GmCfHaZFkxW
Name 4-Bromophenol, heptafluorobutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 367.928289508 u
Formula C10H4BrF7O2
InChI InChI=1S/C10H4BrF7O2/c11-5-1-3-6(4-2-5)20-7(19)8(12,13)9(14,15)10(16,17)18/h1-4H
InChIKey HSABHEHJRDZLPP-UHFFFAOYSA-N
Molecular Weight 369.033 g/mol
SMILES C1=CC(=CC=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960234